comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-29 06:35:28 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Use PLUMED 2.5.2 for regtests

Browse source
This commit is contained in:
Matthias Krack 2019-07-30 11:30:28 +02:00
parent 7f64bd02d6
commit 8a9ee68521
2 changed files with 4 additions and 4 deletions
Download patch file Download diff file Expand all files Collapse all files

4
arch/Linux-x86-64-gfortran-regtest.pdbg
View file

@ -1,11 +1,11 @@
# 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 2017.05.003, PLUMED 2.4.1
# 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 2017.05.003, PLUMED 2.5.2
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2019)
CC = mpicc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
include $(MPI_PATH)/plumed/2.4.1/lib/plumed/src/lib/Plumed.inc.static
include $(MPI_PATH)/plumed/2.5.2/lib/plumed/src/lib/Plumed.inc.static
ELPA_VER = 2017.05.003
ELPA_INC = $(MPI_PATH)/elpa/$(ELPA_VER)/include/elpa-$(ELPA_VER)
ELPA_LIB = $(MPI_PATH)/elpa/$(ELPA_VER)/lib

4
arch/Linux-x86-64-gfortran-regtest.psmp
View file

@ -1,11 +1,11 @@
# 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 2017.05.003, PLUMED 2.4.1
# 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 2017.05.003, PLUMED 2.5.2
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, July 2019)
CC = mpicc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
include $(MPI_PATH)/plumed/2.4.1/lib/plumed/src/lib/Plumed.inc.static
include $(MPI_PATH)/plumed/2.5.2/lib/plumed/src/lib/Plumed.inc.static
ELPA_VER = 2017.05.003
ELPA_INC = $(MPI_PATH)/elpa/$(ELPA_VER)-openmp/include/elpa_openmp-$(ELPA_VER)
ELPA_LIB = $(MPI_PATH)/elpa/$(ELPA_VER)-openmp/lib