From 87d91fc4d20b659e5180b3bfa3039bfde8466b15 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Fri, 30 Aug 2019 11:04:25 +0200 Subject: [PATCH] Remove support for compilers without preprocessor --- Makefile | 31 ++++--------------- arch/CRAY-XC30-gfortran-cuda.psmp | 2 -- arch/CRAY-XC30-gfortran-mkl.psmp | 2 -- arch/CRAY-XC30-gfortran.psmp | 2 -- arch/CRAY-XC40-cce.popt | 2 -- arch/CRAY-XC40-intel.psmp | 2 -- arch/CRAY-XK7-gfortran-cuda.psmp | 2 -- arch/Darwin-IntelMacintosh-gfortran.popt | 1 - arch/Darwin-IntelMacintosh-gfortran.psmp | 1 - arch/Darwin-IntelMacintosh-gfortran.sdbg | 1 - arch/Darwin-IntelMacintosh-gfortran.sopt | 1 - arch/Darwin-IntelMacintosh-gfortran.ssmp | 1 - arch/FreeBSD-gfortran.popt | 2 -- arch/FreeBSD-gfortran.psmp | 2 -- arch/FreeBSD-gfortran.sopt | 2 -- arch/FreeBSD-gfortran.ssmp | 2 -- arch/IBM-BGQ-MPI.popt | 6 ++-- arch/IBM-BGQ-MPI.psmp | 6 ++-- arch/K-computer.popt | 2 -- arch/K-computer.psmp | 2 -- arch/Linux-x86-64-gfortran-regtest.pdbg | 2 -- arch/Linux-x86-64-gfortran-regtest.psmp | 2 -- arch/Linux-x86-64-gfortran-regtest.sdbg | 2 -- arch/Linux-x86-64-gfortran-regtest.ssmp | 2 -- arch/Linux-x86-64-gfortran.dumpast | 2 -- arch/Linux-x86-64-gfortran.popt | 2 -- arch/Linux-x86-64-gfortran.psmp | 2 -- arch/Linux-x86-64-gfortran.sdbg | 2 -- arch/Linux-x86-64-gfortran.sopt | 2 -- arch/Linux-x86-64-gfortran.ssmp | 2 -- arch/Linux-x86-64-gfortran.warn | 2 -- arch/Linux-x86-64-gfortran_mkl_elpa.popt | 2 -- arch/Linux-x86-64-gfortran_opencl_nvidia.sopt | 2 -- arch/Linux-x86-64-intel-minimal.popt | 2 -- arch/Linux-x86-64-intel-minimal.psmp | 2 -- arch/Linux-x86-64-intel-regtest.popt | 2 -- arch/Linux-x86-64-intel-regtest.psmp | 2 -- arch/Linux-x86-64-intel.popt | 2 -- arch/Linux-x86-64-intel.psmp | 2 -- arch/Linux-x86-64-intel.sopt | 2 -- arch/Linux-x86-64-intel.ssmp | 2 -- arch/Linux-x86-64-ma.sopt | 2 -- arch/Linux-x86-64-mingw64-minimal.sopt | 2 -- arch/minimal.sdbg | 4 +-- arch/test_tsan.sdbg | 2 -- tools/toolchain/scripts/arch_base.tmpl | 1 - 46 files changed, 11 insertions(+), 114 deletions(-) diff --git a/Makefile b/Makefile index 972c6377e1..831b6bec99 100644 --- a/Makefile +++ b/Makefile @@ -431,40 +431,21 @@ ifneq ($(strip $(GIT_HEAD)),) cp2k_info.o: $(GIT_HEAD) endif -# some practical variables for the build -ifeq ($(CPPSHELL),) -CPPSHELL := -D__COMPILE_ARCH="\"$(ARCH)\""\ - -D__COMPILE_DATE="\"$(shell date)\""\ - -D__COMPILE_HOST="\"$(shell hostname)\""\ - -D__COMPILE_REVISION="\"$(strip $(REVISION))\""\ - -D__DATA_DIR="\"$(DATA_DIR)\"" -endif +# Add some practical metadata about the build. +FCFLAGS += -D__COMPILE_ARCH="\"$(ARCH)\""\ + -D__COMPILE_DATE="\"$(shell date)\""\ + -D__COMPILE_HOST="\"$(shell hostname)\""\ + -D__COMPILE_REVISION="\"$(strip $(REVISION))\""\ + -D__DATA_DIR="\"$(DATA_DIR)\"" -ifneq ($(CPP),) -# always add the SRCDIR to the include path (-I here might not be portable) -CPPFLAGS += $(CPPSHELL) -I$(SRCDIR) -else -FCFLAGS += $(CPPSHELL) -endif - -# the rule how to generate the .o from the .F -# only if CPP is different from null we do a step over the C preprocessor (which is slower) -# in the other case the fortran compiler takes care of this directly -# # $(FCLOGPIPE) can be used to store compiler output, e.g. warnings, for each F-file separately. # This is used e.g. by the convention checker. FYPPFLAGS ?= -n %.o: %.F -ifneq ($(CPP),) - $(TOOLSRC)/build_utils/fypp $(FYPPFLAGS) $< $*.F90 - $(CPP) $(CPPFLAGS) -D__SHORT_FILE__="\"$(subst $(SRCDIR)/,,$<)\"" -I'$(dir $<)' $*.F90 > $*.f90 - $(FC) -c $(FCFLAGS) $(OBJEXTSINCL) $*.f90 $(FCLOGPIPE) -else $(TOOLSRC)/build_utils/fypp $(FYPPFLAGS) $< $*.F90 $(FC) -c $(FCFLAGS) -D__SHORT_FILE__="\"$(subst $(SRCDIR)/,,$<)\"" -I'$(dir $<)' $(OBJEXTSINCL) $*.F90 $(FCLOGPIPE) -endif %.o: %.c $(CC) -c $(CFLAGS) $< diff --git a/arch/CRAY-XC30-gfortran-cuda.psmp b/arch/CRAY-XC30-gfortran-cuda.psmp index 420af8b62b..276c518f55 100644 --- a/arch/CRAY-XC30-gfortran-cuda.psmp +++ b/arch/CRAY-XC30-gfortran-cuda.psmp @@ -5,13 +5,11 @@ NVCC = nvcc -D__GNUC_MINOR__=8 CC = cc CXX = CC -CPP = FC = ftn LD = ftn AR = ar -r GPUVER = K20X -CPPFLAGS = CXXFLAGS = -O3 -I${CUDA_PATH}/include -std=c++11 -fopenmp DFLAGS = -D__FFTW3 -D__parallel -D__SCALAPACK -D__HAS_smm_dnn -D__ACC -D__DBCSR_ACC CFLAGS = $(DFLAGS) diff --git a/arch/CRAY-XC30-gfortran-mkl.psmp b/arch/CRAY-XC30-gfortran-mkl.psmp index 1807f33658..c419c14a77 100644 --- a/arch/CRAY-XC30-gfortran-mkl.psmp +++ b/arch/CRAY-XC30-gfortran-mkl.psmp @@ -5,11 +5,9 @@ # version from fftw.org is needed for thread safety. CC = cc -CPP = FC = ftn LD = ftn AR = ar -r -CPPFLAGS = DFLAGS = -D__MKL -D__FFTW3 -D__parallel -D__SCALAPACK -D__HAS_smm_dnn CFLAGS = $(DFLAGS) FCFLAGS = $(DFLAGS) -O3 -fopenmp -mavx -funroll-loops -ftree-vectorize \ diff --git a/arch/CRAY-XC30-gfortran.psmp b/arch/CRAY-XC30-gfortran.psmp index e29827f42a..060b93d88d 100644 --- a/arch/CRAY-XC30-gfortran.psmp +++ b/arch/CRAY-XC30-gfortran.psmp @@ -3,11 +3,9 @@ # - module load PrgEnv-gnu ; module load cray-libsci ; module load fftw CC = cc -CPP = FC = ftn LD = ftn AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__parallel -D__SCALAPACK -D__HAS_smm_dnn CFLAGS = $(DFLAGS) FCFLAGS = $(DFLAGS) -O3 -fopenmp -mavx -funroll-loops -ftree-vectorize \ diff --git a/arch/CRAY-XC40-cce.popt b/arch/CRAY-XC40-cce.popt index ed139dc12f..d2a21ee99c 100644 --- a/arch/CRAY-XC40-cce.popt +++ b/arch/CRAY-XC40-cce.popt @@ -4,11 +4,9 @@ # Tested with CCE v8.6.x CC = cc -CPP = FC = ftn LD = ftn AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__parallel -D__SCALAPACK -D__FORCE_USE_FAST_MATH DFLAGS += -hnoomp CFLAGS = $(DFLAGS) diff --git a/arch/CRAY-XC40-intel.psmp b/arch/CRAY-XC40-intel.psmp index 392221bbda..6439628704 100644 --- a/arch/CRAY-XC40-intel.psmp +++ b/arch/CRAY-XC40-intel.psmp @@ -12,11 +12,9 @@ LIBINT = /home/users/p02464/libs/libint/intel/1.1.6 LIBELPA = /home/users/p02464/libs/libelpa/intel/2017.05.002 CC = cc -CPP = FC = ftn LD = ftn AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__LIBXSMM \ -D__parallel -D__SCALAPACK \ -D__ELPA=201705 \ diff --git a/arch/CRAY-XK7-gfortran-cuda.psmp b/arch/CRAY-XK7-gfortran-cuda.psmp index 778136cb3a..d1d7e49e4a 100644 --- a/arch/CRAY-XK7-gfortran-cuda.psmp +++ b/arch/CRAY-XK7-gfortran-cuda.psmp @@ -5,14 +5,12 @@ NVCC = nvcc CC = cc CXX = CC -CPP = FC = ftn LD = ftn AR = ar -r HWTOPO = yes GPUVER = K20X -CPPFLAGS = CXXFLAGS = -O3 -I${CUDA_PATH}/include -std=c++11 -fopenmp DFLAGS = -D__GEMINI -D__FFTW3 -D__parallel -D__SCALAPACK -D__HAS_smm_dnn -D__ACC -D__DBCSR_ACC CFLAGS = $(DFLAGS) diff --git a/arch/Darwin-IntelMacintosh-gfortran.popt b/arch/Darwin-IntelMacintosh-gfortran.popt index 7dd664987b..8f59cc4fe4 100644 --- a/arch/Darwin-IntelMacintosh-gfortran.popt +++ b/arch/Darwin-IntelMacintosh-gfortran.popt @@ -3,7 +3,6 @@ # libxc is installed in LIBXC_INCLUDE_DIR / LIBXC_LIB_DIR # libint is installed in LIBINT_INCLUDE_DIR / LIBINT_LIB_DIR CC = gcc -CPP = FC = mpif90 LD = mpif90 AR = ar -r diff --git a/arch/Darwin-IntelMacintosh-gfortran.psmp b/arch/Darwin-IntelMacintosh-gfortran.psmp index 3856901055..b24e51d589 100644 --- a/arch/Darwin-IntelMacintosh-gfortran.psmp +++ b/arch/Darwin-IntelMacintosh-gfortran.psmp @@ -3,7 +3,6 @@ # libxc is installed in LIBXC_INCLUDE_DIR / LIBXC_LIB_DIR # libint is installed in LIBINT_INCLUDE_DIR / LIBINT_LIB_DIR CC = gcc -CPP = FC = mpif90 LD = mpif90 AR = ar -r diff --git a/arch/Darwin-IntelMacintosh-gfortran.sdbg b/arch/Darwin-IntelMacintosh-gfortran.sdbg index 1387ef0bab..44957beb89 100644 --- a/arch/Darwin-IntelMacintosh-gfortran.sdbg +++ b/arch/Darwin-IntelMacintosh-gfortran.sdbg @@ -2,7 +2,6 @@ # libxc is installed in LIBXC_INCLUDE_DIR / LIBXC_LIB_DIR # libint is installed in LIBINT_INCLUDE_DIR / LIBINT_LIB_DIR CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r diff --git a/arch/Darwin-IntelMacintosh-gfortran.sopt b/arch/Darwin-IntelMacintosh-gfortran.sopt index 306a271c4e..f9df02d885 100644 --- a/arch/Darwin-IntelMacintosh-gfortran.sopt +++ b/arch/Darwin-IntelMacintosh-gfortran.sopt @@ -2,7 +2,6 @@ # libxc is installed in LIBXC_INCLUDE_DIR / LIBXC_LIB_DIR # libint is installed in LIBINT_INCLUDE_DIR / LIBINT_LIB_DIR CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r diff --git a/arch/Darwin-IntelMacintosh-gfortran.ssmp b/arch/Darwin-IntelMacintosh-gfortran.ssmp index 5e5aeada73..618c3a93ed 100644 --- a/arch/Darwin-IntelMacintosh-gfortran.ssmp +++ b/arch/Darwin-IntelMacintosh-gfortran.ssmp @@ -2,7 +2,6 @@ # libxc is installed in LIBXC_INCLUDE_DIR / LIBXC_LIB_DIR # libint is installed in LIBINT_INCLUDE_DIR / LIBINT_LIB_DIR CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r diff --git a/arch/FreeBSD-gfortran.popt b/arch/FreeBSD-gfortran.popt index 0611ece72e..43e36b06b6 100644 --- a/arch/FreeBSD-gfortran.popt +++ b/arch/FreeBSD-gfortran.popt @@ -1,9 +1,7 @@ CC = gcc -CPP = FC = mpif90 LD = mpif90 AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__NO_STATM_ACCESS -D__MPI_VERSION=2 -D__parallel -D__SCALAPACK FCFLAGS = -O2 -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS) LDFLAGS = $(FCFLAGS) diff --git a/arch/FreeBSD-gfortran.psmp b/arch/FreeBSD-gfortran.psmp index 34c6ebd1e4..e039de8801 100644 --- a/arch/FreeBSD-gfortran.psmp +++ b/arch/FreeBSD-gfortran.psmp @@ -1,9 +1,7 @@ CC = gcc -CPP = FC = mpif90 LD = mpif90 AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__NO_STATM_ACCESS -D__MPI_VERSION=2 -D__parallel -D__SCALAPACK FCFLAGS = -O2 -fopenmp -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS) LDFLAGS = $(FCFLAGS) diff --git a/arch/FreeBSD-gfortran.sopt b/arch/FreeBSD-gfortran.sopt index e6bf71aaa8..7298a33a85 100644 --- a/arch/FreeBSD-gfortran.sopt +++ b/arch/FreeBSD-gfortran.sopt @@ -1,9 +1,7 @@ CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__NO_STATM_ACCESS FCFLAGS = -O2 -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS) LDFLAGS = $(FCFLAGS) diff --git a/arch/FreeBSD-gfortran.ssmp b/arch/FreeBSD-gfortran.ssmp index 9a75842c31..20a9fe8c86 100644 --- a/arch/FreeBSD-gfortran.ssmp +++ b/arch/FreeBSD-gfortran.ssmp @@ -1,9 +1,7 @@ CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__NO_STATM_ACCESS FCFLAGS = -O2 -fopenmp -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS) LDFLAGS = $(FCFLAGS) diff --git a/arch/IBM-BGQ-MPI.popt b/arch/IBM-BGQ-MPI.popt index a00cc0bf8d..444db037cb 100644 --- a/arch/IBM-BGQ-MPI.popt +++ b/arch/IBM-BGQ-MPI.popt @@ -10,14 +10,12 @@ # CC = mpixlc_r CXX = mpixlcxx_r -CPP = cpp -P -traditional-cpp -FC = mpixlf2003_r +FC = mpixlf2003_r -qpreprocess LD = mpixlf2003_r AR = ar -r LIBXC_INCLUDE=$(HOME)/libxc-2.2.2-install/include DFLAGS = -D__FFTW3 -D__parallel -D__SCALAPACK -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=2 -CPPFLAGS = $(DFLAGS) -I$(FFTW3_INCLUDE) -I$(LIBXC_INCLUDE) -I$(LIBINT_INCLUDE) -FCFLAGS = -O3 -qstrict -q64 -qarch=qp -qtune=qp \ +FCFLAGS = $(DFLAGS) -O3 -qstrict -q64 -qarch=qp -qtune=qp \ -I/opt/ibmmath/essl/5.1/include/ \ -I$(LAPACK_INCLUDE) -I$(FFTW3_INCLUDE) -I$(LIBXC_INCLUDE) LDFLAGS = $(FCFLAGS) -Wl,--allow-multiple-definition diff --git a/arch/IBM-BGQ-MPI.psmp b/arch/IBM-BGQ-MPI.psmp index 3763b7b800..fd045c3c43 100644 --- a/arch/IBM-BGQ-MPI.psmp +++ b/arch/IBM-BGQ-MPI.psmp @@ -9,14 +9,12 @@ # WARNING: Check your own libraries and paths ! # CC = mpixlc -CPP = cpp -E -FC = mpixlf2003_r +FC = mpixlf2003_r -qpreprocess LD = mpixlf2003_r AR = ar -r DFLAGS = -D__AIX -D__FFTW3 -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -CPPFLAGS = $(DFLAGS) -P -traditional -I/bglocal/cn/pub/FFTW/3.3.2/include -FCFLAGS = -O3 -qhot -g -qsmp=omp -qstrict -qarch=qp -qtune=qp -qmaxmem=-1 \ +FCFLAGS = $(DFLAGS) -O3 -qhot -g -qsmp=omp -qstrict -qarch=qp -qtune=qp -qmaxmem=-1 \ -I/bgsys/ibm_essl/prod/opt/ibmmath/essl/5.1/include \ -I/bglocal/cn/pub/LAPACK/3.4.2/include -I/bglocal/cn/pub/FFTW/3.3.3/include diff --git a/arch/K-computer.popt b/arch/K-computer.popt index 97333b3b63..7d9613eb57 100644 --- a/arch/K-computer.popt +++ b/arch/K-computer.popt @@ -7,13 +7,11 @@ # P-id T01641-04 (2014) # (MB-University of Tokyo, 2014). CC = mpifccpx -c -O -CPP = /lib/cpp FC = mpifrtpx -c FC_fixed = mpifrtpx -FI -c LD = mpifrtpx AR = /usr/bin/ar -r DFLAGS = -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -CPPFLAGS = -C $(DFLAGS) -P -traditional FCFLAGS = -Kvisimpact,array_private,auto,ilfunc,ocl,NOFLTLD \ -Am -X9 -V -Ec -Qa,d,i,p,t,x -Koptmsg=2 -V \ -Cpp -Ccpp diff --git a/arch/K-computer.psmp b/arch/K-computer.psmp index ef795012dc..c904fd599c 100644 --- a/arch/K-computer.psmp +++ b/arch/K-computer.psmp @@ -10,13 +10,11 @@ # Ver. 1.2.1 P-id T01641-04 (2014) # (MB-University of Tokyo, 2014). CC = mpifccpx -c -O -CPP = /lib/cpp FC = mpifrtpx -c FC_fixed = mpifrtpx -FI -c LD = mpifrtpx AR = /usr/bin/ar -r DFLAGS = -D__GFORTRAN -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -CPPFLAGS = -C $(DFLAGS) -P -traditional FCFLAGS = -Aw -O3 -Kfast,openmp -Kopenmp -Ksimd -Kparallel -X03 -Free -Cpp -Ccpp LDFLAGS = $(FCFLAGS) -L$(HOME)/lib LIBS = $(FCFLAGS) -SSL2BLAMP -SCALAPACK -Ntl_trt diff --git a/arch/Linux-x86-64-gfortran-regtest.pdbg b/arch/Linux-x86-64-gfortran-regtest.pdbg index e8344ea28c..a0f3dc2979 100644 --- a/arch/Linux-x86-64-gfortran-regtest.pdbg +++ b/arch/Linux-x86-64-gfortran-regtest.pdbg @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 2.5.0, Libxc 4.3.4, ELPA 2019.05.001, PLUMED 2.5.2 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, August 2019) CC = mpicc -CPP = FC = mpif90 LD = mpif90 AR = ar -r @@ -16,7 +15,6 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.5.0-lmax-4-regtest/lib LIBXC_INC = $(GNU_PATH)/libxc/4.3.4-regtest/include LIBXC_LIB = $(GNU_PATH)/libxc/4.3.4-regtest/lib CFLAGS = -g -march=native -CPPFLAGS = DFLAGS = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC \ -D__MPI_VERSION=3 -D__PLUMED2 \ -D__parallel -D__SCALAPACK -D__CHECK_DIAG diff --git a/arch/Linux-x86-64-gfortran-regtest.psmp b/arch/Linux-x86-64-gfortran-regtest.psmp index 9dab43eeb6..8e0cc9a84b 100644 --- a/arch/Linux-x86-64-gfortran-regtest.psmp +++ b/arch/Linux-x86-64-gfortran-regtest.psmp @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 2.5.0, Libxc 4.3.4, ELPA 2019.05.001, PLUMED 2.5.2 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, August 2019) CC = mpicc -CPP = FC = mpif90 LD = mpif90 AR = ar -r @@ -19,7 +18,6 @@ DFLAGS = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC \ -D__MPI_VERSION=3 -D__PLUMED2 \ -D__parallel -D__SCALAPACK -D__CHECK_DIAG CFLAGS = -fopenmp -g -march=native -CPPFLAGS = WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion \ -Wintrinsic-shadow -Wintrinsics-std -Wline-truncation \ -Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow \ diff --git a/arch/Linux-x86-64-gfortran-regtest.sdbg b/arch/Linux-x86-64-gfortran-regtest.sdbg index 1e1af97447..7435d79a8a 100644 --- a/arch/Linux-x86-64-gfortran-regtest.sdbg +++ b/arch/Linux-x86-64-gfortran-regtest.sdbg @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, FFTW 3.3, LAPACK 3.8.0, Libint 2.5.0, Libxc 4.3.4 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, August 2019) CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r @@ -13,7 +12,6 @@ LIBXC_INC = $(GNU_PATH)/libxc/4.3.4-regtest/include LIBXC_LIB = $(GNU_PATH)/libxc/4.3.4-regtest/lib DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__CHECK_DIAG CFLAGS = -g -march=native -CPPFLAGS = WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion \ -Wintrinsic-shadow -Wintrinsics-std -Wline-truncation \ -Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow \ diff --git a/arch/Linux-x86-64-gfortran-regtest.ssmp b/arch/Linux-x86-64-gfortran-regtest.ssmp index 9ab79cf8ee..ce744dfa97 100644 --- a/arch/Linux-x86-64-gfortran-regtest.ssmp +++ b/arch/Linux-x86-64-gfortran-regtest.ssmp @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, FFTW 3.3, LAPACK 3.8.0, Libint 2.5.0, Libxc 4.3.4 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2019) CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r @@ -13,7 +12,6 @@ LIBXC_INC = $(GNU_PATH)/libxc/4.3.4-regtest/include LIBXC_LIB = $(GNU_PATH)/libxc/4.3.4-regtest/lib DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__CHECK_DIAG CFLAGS = -fopenmp -g -march=native -CPPFLAGS = WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion \ -Wintrinsic-shadow -Wintrinsics-std -Wline-truncation \ -Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow \ diff --git a/arch/Linux-x86-64-gfortran.dumpast b/arch/Linux-x86-64-gfortran.dumpast index 633b8b4e6b..d2e9d822d4 100644 --- a/arch/Linux-x86-64-gfortran.dumpast +++ b/arch/Linux-x86-64-gfortran.dumpast @@ -4,12 +4,10 @@ # sdbg is intended for serial code development, not production # CC = cc -CPP = FC = gfortran LD = gfortran AR = ar -r -CPPFLAGS = DFLAGS = FCFLAGS = -O0 -fstrict-aliasing -fbacktrace -g -fbounds-check -ffree-form -fdump-fortran-original -fopenmp $(DFLAGS) LDFLAGS = $(FCFLAGS) diff --git a/arch/Linux-x86-64-gfortran.popt b/arch/Linux-x86-64-gfortran.popt index 460f4f8412..b59125c6da 100644 --- a/arch/Linux-x86-64-gfortran.popt +++ b/arch/Linux-x86-64-gfortran.popt @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.12, ELPA 2017.05.003, PLUMED 2.4.1 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019) CC = gcc -CPP = FC = mpif90 LD = mpif90 AR = ar -r @@ -21,7 +20,6 @@ DFLAGS = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \ -D__MPI_VERSION=3 -D__PLUMED2 \ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 \ -D__parallel -D__SCALAPACK -CPPFLAGS = FCFLAGS = $(DFLAGS) -O2 -ffree-form -ffree-line-length-none \ -ftree-vectorize -funroll-loops -mtune=native -std=f2008 \ -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules \ diff --git a/arch/Linux-x86-64-gfortran.psmp b/arch/Linux-x86-64-gfortran.psmp index 8b226024e3..df91a37aa2 100644 --- a/arch/Linux-x86-64-gfortran.psmp +++ b/arch/Linux-x86-64-gfortran.psmp @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, MPICH 3.3, LAPACK 3.8.0, ScaLAPACK 2.0.2, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.12, ELPA 2017.05.003, PLUMED 2.4.1 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019) CC = gcc -CPP = FC = mpif90 LD = mpif90 AR = ar -r @@ -21,7 +20,6 @@ DFLAGS = -D__ELPA=201705 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \ -D__MPI_VERSION=3 -D__PLUMED2 \ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 \ -D__parallel -D__SCALAPACK -CPPFLAGS = FCFLAGS = $(DFLAGS) -O2 -ffree-form -ffree-line-length-none \ -fopenmp -ftree-vectorize -funroll-loops -mtune=native -std=f2008 \ -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules \ diff --git a/arch/Linux-x86-64-gfortran.sdbg b/arch/Linux-x86-64-gfortran.sdbg index f6450c7f3a..1d1f19c1d4 100644 --- a/arch/Linux-x86-64-gfortran.sdbg +++ b/arch/Linux-x86-64-gfortran.sdbg @@ -1,7 +1,6 @@ # Tested with: GFortran 6.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.9 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2019) CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r @@ -14,7 +13,6 @@ LIBXC_LIB = $(GCC_DIR)/libxc/4.3.4-regtest/lib LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.9/include LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.9/lib DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__CHECK_DIAG -CPPFLAGS = WFLAGS = -Waliasing -Wampersand -Wc-binding-type -Wconversion \ -Wintrinsic-shadow -Wintrinsics-std -Wline-truncation \ -Wno-tabs -Wrealloc-lhs-all -Wtarget-lifetime -Wunderflow \ diff --git a/arch/Linux-x86-64-gfortran.sopt b/arch/Linux-x86-64-gfortran.sopt index 7835bfe3cf..a9b02222fa 100644 --- a/arch/Linux-x86-64-gfortran.sopt +++ b/arch/Linux-x86-64-gfortran.sopt @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.12 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019) CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r @@ -15,7 +14,6 @@ LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.12/include LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.12/lib DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -CPPFLAGS = FCFLAGS = $(DFLAGS) -O2 -ffree-form -ffree-line-length-none \ -ftree-vectorize -funroll-loops -mtune=native -std=f2008 \ -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC) diff --git a/arch/Linux-x86-64-gfortran.ssmp b/arch/Linux-x86-64-gfortran.ssmp index 754e047a52..8516822cb0 100644 --- a/arch/Linux-x86-64-gfortran.ssmp +++ b/arch/Linux-x86-64-gfortran.ssmp @@ -1,7 +1,6 @@ # Tested with: GFortran 7.4.0, LAPACK 3.8.0, FFTW 3.3, Libint 1.1.6, Libxc 4.3.4, libxsmm 1.12 # Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019) CC = gcc -CPP = FC = gfortran LD = gfortran AR = ar -r @@ -15,7 +14,6 @@ LIBXSMM_INC = $(GCC_DIR)/libxsmm/1.12/include LIBXSMM_LIB = $(GCC_DIR)/libxsmm/1.12/lib DFLAGS = -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \ -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -CPPFLAGS = FCFLAGS = $(DFLAGS) -O2 -ffree-form -ffree-line-length-none \ -fopenmp -ftree-vectorize -funroll-loops -mtune=native -std=f2008 \ -I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC) diff --git a/arch/Linux-x86-64-gfortran.warn b/arch/Linux-x86-64-gfortran.warn index 34d647f664..40d37b54f0 100644 --- a/arch/Linux-x86-64-gfortran.warn +++ b/arch/Linux-x86-64-gfortran.warn @@ -1,13 +1,11 @@ NVCC = nvcc -D__GNUC_MINOR__=6 CC = gcc CXX = CC -CPP = FC = mpif90 LD = mpif90 AR = ar -r GPUVER = K20X -CPPFLAGS = CXXFLAGS = -O3 -I${CUDA_PATH}/include -std=c++11 -fopenmp #https://gcc.gnu.org/onlinedocs/gfortran/Error-and-Warning-Options.html diff --git a/arch/Linux-x86-64-gfortran_mkl_elpa.popt b/arch/Linux-x86-64-gfortran_mkl_elpa.popt index ade9370dec..abb40a8141 100644 --- a/arch/Linux-x86-64-gfortran_mkl_elpa.popt +++ b/arch/Linux-x86-64-gfortran_mkl_elpa.popt @@ -4,11 +4,9 @@ ELPA_LIB = /users/archive/marcella/DEV/ELPA/20131105/elpa_lib/ELPA_2013.08/build ELPA_INC = /users/archive/marcella/DEV/ELPA/20131105/elpa_lib/ELPA_2013.08/build_generic/include/elpa # CC = cc -CPP = FC = mpif90 LD = mpif90 AR = ar -r -CPPFLAGS = DFLAGS = -D__parallel -D__SCALAPACK -D__LIBINT -D__LIBXC2 -D__FFTW3 -D__ELPA=201308 FCFLAGS = -O3 -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS) -g -I${FFTW3_PATH}/include -I${ELPA_INC}/modules -I${ELPA_INC}/elpa -I${LIBINT_INC} LDFLAGS = $(FCFLAGS) -L$(LIBINT_PATH) -L${FFTW3_PATH}/lib64 -L$(INTEL_MKL_LIB) -L$(LIBXC_PATH)/lib64 diff --git a/arch/Linux-x86-64-gfortran_opencl_nvidia.sopt b/arch/Linux-x86-64-gfortran_opencl_nvidia.sopt index 44235612e6..f381f7fa50 100644 --- a/arch/Linux-x86-64-gfortran_opencl_nvidia.sopt +++ b/arch/Linux-x86-64-gfortran_opencl_nvidia.sopt @@ -25,7 +25,6 @@ LIBS += -L$(LIBXC_PATH)/lib \ LIBS += -lOpenCL # PROG's ############################################################### -CPP = CC = gcc FC = gfortran LD = gfortran @@ -41,7 +40,6 @@ DFLAGS = -D__FFTW3 \ AFLAGS = $(DFLAGS) -O3 -mtune=native -funroll-loops -ftree-vectorize -CPPFLAGS = $(DFLAGS) -traditional -C CFLAGS = $(AFLAGS) FCFLAGS = $(AFLAGS) -ffree-form -ffree-line-length-none LDFLAGS = $(FCFLAGS) diff --git a/arch/Linux-x86-64-intel-minimal.popt b/arch/Linux-x86-64-intel-minimal.popt index bcbf63fbc9..2d61a75085 100644 --- a/arch/Linux-x86-64-intel-minimal.popt +++ b/arch/Linux-x86-64-intel-minimal.popt @@ -6,11 +6,9 @@ # Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019) CC = mpiicc -CPP = FC = mpiifort LD = mpiifort AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__MKL -D__MPI_VERSION=3 \ -D__parallel -D__SCALAPACK CFLAGS = $(DFLAGS) -O2 diff --git a/arch/Linux-x86-64-intel-minimal.psmp b/arch/Linux-x86-64-intel-minimal.psmp index 797a18d301..e26f740438 100644 --- a/arch/Linux-x86-64-intel-minimal.psmp +++ b/arch/Linux-x86-64-intel-minimal.psmp @@ -6,11 +6,9 @@ # Author: Matthias Krack (matthias.krack@psi.ch, PSI, June 2019) CC = mpiicc -CPP = FC = mpiifort LD = mpiifort AR = ar -r -CPPFLAGS = DFLAGS = -D__FFTW3 -D__MKL -D__MPI_VERSION=3 \ -D__parallel -D__SCALAPACK CFLAGS = $(DFLAGS) -O2 -fopenmp diff --git a/arch/Linux-x86-64-intel-regtest.popt b/arch/Linux-x86-64-intel-regtest.popt index dd4b0e31f8..dcad9a841f 100644 --- a/arch/Linux-x86-64-intel-regtest.popt +++ b/arch/Linux-x86-64-intel-regtest.popt @@ -17,11 +17,9 @@ LIBXSMM_INC = $(INTEL_PATH)/libxsmm/1.13/include LIBXSMM_LIB = $(INTEL_PATH)/libxsmm/1.13/lib CC = mpiicc -CPP = FC = mpiifort LD = mpiifort AR = ar -r -CPPFLAGS = DFLAGS = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \ -D__MKL -D__MPI_VERSION=3 -D__PLUMED2 -D__MAX_CONTR=4 \ -D__parallel -D__SCALAPACK -D__CHECK_DIAG diff --git a/arch/Linux-x86-64-intel-regtest.psmp b/arch/Linux-x86-64-intel-regtest.psmp index 870ab227e2..38e046a5f6 100644 --- a/arch/Linux-x86-64-intel-regtest.psmp +++ b/arch/Linux-x86-64-intel-regtest.psmp @@ -17,11 +17,9 @@ LIBXSMM_INC = $(INTEL_PATH)/libxsmm/1.13/include LIBXSMM_LIB = $(INTEL_PATH)/libxsmm/1.13/lib CC = mpiicc -CPP = FC = mpiifort LD = mpiifort AR = ar -r -CPPFLAGS = DFLAGS = -D__ELPA -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \ -D__MKL -D__MPI_VERSION=3 -D__PLUMED2 -D__MAX_CONTR=4 \ -D__parallel -D__SCALAPACK -D__CHECK_DIAG diff --git a/arch/Linux-x86-64-intel.popt b/arch/Linux-x86-64-intel.popt index f7efbcb837..d0c88b8183 100644 --- a/arch/Linux-x86-64-intel.popt +++ b/arch/Linux-x86-64-intel.popt @@ -7,11 +7,9 @@ LIBINT = /home/users/p02464/libs/libint/intel/1.1.6 LIBELPA = /home/users/p02464/libs/libelpa/intel/2017.05.002 CC = cc -CPP = FC = mpiifort LD = mpiifort AR = ar -r -CPPFLAGS = DFLAGS = -D__MKL -D__FFTW3 -D__LIBXSMM \ -D__parallel -D__SCALAPACK \ -D__ELPA=201705 \ diff --git a/arch/Linux-x86-64-intel.psmp b/arch/Linux-x86-64-intel.psmp index 50a33e1de4..ae7714705a 100644 --- a/arch/Linux-x86-64-intel.psmp +++ b/arch/Linux-x86-64-intel.psmp @@ -7,11 +7,9 @@ LIBINT = /home/users/p02464/libs/libint/intel/1.1.6 LIBELPA = /home/users/p02464/libs/libelpa/intel/2017.05.002 CC = cc -CPP = FC = mpiifort LD = mpiifort AR = ar -r -CPPFLAGS = DFLAGS = -D__MKL -D__FFTW3 -D__LIBXSMM \ -D__parallel -D__SCALAPACK \ -D__ELPA=201705 \ diff --git a/arch/Linux-x86-64-intel.sopt b/arch/Linux-x86-64-intel.sopt index 661c91b1e5..a68e0c3b32 100644 --- a/arch/Linux-x86-64-intel.sopt +++ b/arch/Linux-x86-64-intel.sopt @@ -6,11 +6,9 @@ LIBXC = /home/users/p02464/libs/libxc/intel/4.0.3 LIBINT = /home/users/p02464/libs/libint/intel/1.1.6 CC = icc -CPP = FC = ifort LD = ifort AR = ar -r -CPPFLAGS = DFLAGS = -D__MKL -D__FFTW3 -D__LIBXSMM \ -D__LIBXC \ -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 \ diff --git a/arch/Linux-x86-64-intel.ssmp b/arch/Linux-x86-64-intel.ssmp index a5ec65e096..db4b873aa1 100644 --- a/arch/Linux-x86-64-intel.ssmp +++ b/arch/Linux-x86-64-intel.ssmp @@ -6,11 +6,9 @@ LIBXC = /home/users/p02464/libs/libxc/intel/4.0.3 LIBINT = /home/users/p02464/libs/libint/intel/1.1.6 CC = icc -CPP = FC = ifort LD = ifort AR = ar -r -CPPFLAGS = DFLAGS = -D__MKL -D__FFTW3 -D__LIBXSMM \ -D__LIBXC \ -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 \ diff --git a/arch/Linux-x86-64-ma.sopt b/arch/Linux-x86-64-ma.sopt index d3d5ba51d6..97f2d0e397 100644 --- a/arch/Linux-x86-64-ma.sopt +++ b/arch/Linux-x86-64-ma.sopt @@ -11,11 +11,9 @@ HWLOC = yes CC = gcc -CPP = FC = gfortran LD = $(FC) AR = ar -r -CPPFLAGS = DFLAGS = -D__LIBINT -D__HWLOC GFLAGS = -g -O3 $(DFLAGS) FCFLAGS = -ffree-form -fcray-pointer $(GFLAGS) diff --git a/arch/Linux-x86-64-mingw64-minimal.sopt b/arch/Linux-x86-64-mingw64-minimal.sopt index 29ed0dbbe5..915f005375 100644 --- a/arch/Linux-x86-64-mingw64-minimal.sopt +++ b/arch/Linux-x86-64-mingw64-minimal.sopt @@ -11,12 +11,10 @@ # docker run --rm -v $(pwd):/cp2k --user $(id -u):$(id -g) cp2k/mingw64 CC = x86_64-w64-mingw32-gcc CXX = x86_64-w64-mingw32-g++ -CPP = x86_64-w64-mingw32-cpp FC = x86_64-w64-mingw32-gfortran LD = x86_64-w64-mingw32-gfortran AR = x86_64-w64-mingw32-ar -r DFLAGS = -D__NO_STATM_ACCESS -D__NO_IPI_DRIVER -D__MINGW -CPPFLAGS = -P -traditional $(DFLAGS) CFLAGS = $(DFLAGS) -O2 FCFLAGS = $(DFLAGS) -O2 -ffree-form -ffree-line-length-none \ -ftree-vectorize -funroll-loops -std=f2008 diff --git a/arch/minimal.sdbg b/arch/minimal.sdbg index 3b4cb4c490..e6f88d87ed 100644 --- a/arch/minimal.sdbg +++ b/arch/minimal.sdbg @@ -3,12 +3,10 @@ # https://www.dropbox.com/s/18oi02srbot3h9p/cp2k_single_file.f90.gz CC = gcc CXX = g++ -CPP = cpp -CPPFLAGS = -C -P -traditional -D__NO_IPI_DRIVER -nostdinc AR = ar -r FC = gfortran LD = gfortran CFLAGS = -FCFLAGS = -ffree-form +FCFLAGS = -ffree-form -D__NO_IPI_DRIVER -nostdinc LDFLAGS = LIBS = -llapack -lblas diff --git a/arch/test_tsan.sdbg b/arch/test_tsan.sdbg index 22d7221dbc..3b0965cff5 100644 --- a/arch/test_tsan.sdbg +++ b/arch/test_tsan.sdbg @@ -4,13 +4,11 @@ # needs tsan instrumented lib gomp (http://gcc.gnu.org/bugzilla/show_bug.cgi?id=55561#c15) # CC = cc -CPP = FC = gfortran LD = gfortran AR = ar -r -CPPFLAGS = DFLAGS = -D__LIBINT FCFLAGS = -gdwarf-3 -fPIE -pie -fsanitize=thread -fno-omit-frame-pointer -O0 -march=native -ffree-form $(DFLAGS) -I$(LIBINT_INCLUDE) LDFLAGS = $(FCFLAGS) -L/data/vjoost/libint/sanitize/install/lib/ diff --git a/tools/toolchain/scripts/arch_base.tmpl b/tools/toolchain/scripts/arch_base.tmpl index d90cc471cf..9cc5927c7c 100644 --- a/tools/toolchain/scripts/arch_base.tmpl +++ b/tools/toolchain/scripts/arch_base.tmpl @@ -1,6 +1,5 @@ CC = ${CC_arch} CXX = ${CXX_arch} -CPP = AR = ar -r FC = ${FC_arch} LD = ${LD_arch}