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Update arch files to LIBXC 5.1.2

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This commit is contained in:
Matthias Krack 2021-03-06 10:53:26 +01:00
parent f2d27513a6
commit 10fef1bdfb
5 changed files with 20 additions and 20 deletions
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8
arch/Linux-x86-64-gfortran-generic.ssmp
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@ -1,6 +1,6 @@
# Tested with: GFortran 8.3.0, LAPACK 3.9.0, FFTW 3.3, LIBINT 2.6.0,
# LIBXC 5.1.0, SPGLIB 1.16.0, LIBVORI 201229
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021)
# LIBXC 5.1.2, SPGLIB 1.16.0, LIBVORI 201229
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021)
CC = gcc
FC = gfortran
@ -15,8 +15,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-4-generic/lib
LIBVORI_LIB = $(GNU_PATH)/libvori/201229-generic/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.0-generic/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0-generic/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.2-generic/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2-generic/lib
SPGLIB_INC = $(GNU_PATH)/spglib/1.16.0-generic/include
SPGLIB_LIB = $(GNU_PATH)/spglib/1.16.0-generic/lib

8
arch/Linux-x86-64-gfortran-regtest.psmp
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@ -1,7 +1,7 @@
# Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.0, ScaLAPACK 2.0.2, FFTW 3.3,
# LIBINT 2.6.0, LIBXC 5.1.0, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# LIBINT 2.6.0, LIBXC 5.1.2, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# LIBVORI 201229
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021)
CC = mpicc
FC = mpif90
@ -22,8 +22,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-4-regtest/lib
LIBVORI_LIB = $(GNU_PATH)/libvori/201229-regtest/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.0-regtest/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0-regtest/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.2-regtest/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2-regtest/lib
SPGLIB_INC = $(GNU_PATH)/spglib/1.16.0-regtest/include
SPGLIB_LIB = $(GNU_PATH)/spglib/1.16.0-regtest/lib

8
arch/Linux-x86-64-gfortran.psmp
View file

@ -1,7 +1,7 @@
# Tested with: GFortran 8.3.0, MPICH 3.3, LAPACK 3.9.0, ScaLAPACK 2.0.2, FFTW 3.3,
# LIBINT 2.6.0, LIBXC 5.1.0, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# LIBINT 2.6.0, LIBXC 5.1.2, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# LIBVORI 201229, LIBXSMM 1.16.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021)
CC = mpicc
FC = mpif90
@ -22,8 +22,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
LIBVORI_LIB = $(GNU_PATH)/libvori/201229/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.0/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.2/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2/lib
LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include
LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib

8
arch/Linux-x86-64-gfortran.ssmp
View file

@ -1,6 +1,6 @@
# Tested with: GFortran 8.3.0, LAPACK 3.9.0, FFTW 3.3, LIBINT 2.6.0,
# LIBXC 5.1.0, SPGLIB 1.16.0, LIBVORI 201229, LIBXSMM 1.16.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021)
# LIBXC 5.1.2, SPGLIB 1.16.0, LIBVORI 201229, LIBXSMM 1.16.1
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021)
CC = gcc
FC = gfortran
@ -15,8 +15,8 @@ LIBINT_LIB = $(GNU_PATH)/libint/2.6.0-lmax-6/lib
LIBVORI_LIB = $(GNU_PATH)/libvori/201229/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.0/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.0/lib
LIBXC_INC = $(GNU_PATH)/libxc/5.1.2/include
LIBXC_LIB = $(GNU_PATH)/libxc/5.1.2/lib
LIBXSMM_INC = $(GNU_PATH)/libxsmm/1.16.1/include
LIBXSMM_LIB = $(GNU_PATH)/libxsmm/1.16.1/lib

8
arch/Linux-x86-64-intel-regtest.psmp
View file

@ -1,8 +1,8 @@
# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.5.274 Build 20180823
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.1.3.304 Build 20200925
# Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.0, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# Intel MPI, MKL, LIBINT 2.6.0, LIBXC 5.1.2, LIBXSMM 1.16.1, ELPA 2020.11.001, PLUMED 2.6.2, SPGLIB 1.16.0,
# LIBVORI 201229
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2021)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, March 2021)
CC = mpiicc
FC = mpiifort
@ -20,8 +20,8 @@ LIBINT_LIB = $(INTEL_PATH)/libint/2.6.0-lmax-4/lib
LIBVORI_LIB = $(INTEL_PATH)/libvori/201229/lib
LIBXC_INC = $(INTEL_PATH)/libxc/5.1.0/include
LIBXC_LIB = $(INTEL_PATH)/libxc/5.1.0/lib
LIBXC_INC = $(INTEL_PATH)/libxc/5.1.2/include
LIBXC_LIB = $(INTEL_PATH)/libxc/5.1.2/lib
LIBXSMM_INC = $(INTEL_PATH)/libxsmm/1.16.1/include
LIBXSMM_LIB = $(INTEL_PATH)/libxsmm/1.16.1/lib