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

Disable checks by default

Browse source
This commit is contained in:
Matthias Krack 2021-11-26 16:58:10 +01:00
parent 092bd514a9
commit e1f4b59b5f
2 changed files with 13 additions and 12 deletions
Download patch file Download diff file Expand all files Collapse all files

13
arch/CRAY-XC40_gnu.psmp
View file

@ -2,7 +2,7 @@
#
# CP2K arch file for Cray-XC40 (Piz Daint, CSCS, multi-core partition)
#
# Tested with: GFortran 8.3.0, MPICH 3.2.1, Cray-libsci 20.09.1, Cray-FFTW 3.3.8, Libint 2.6.0,
# Tested with: GFortran 8.3.0, Cray-MPICH 7.7.16, Cray-libsci 20.09.1, Cray-FFTW 3.3.8, Libint 2.6.0,
# LIBXC 5.1.7, LIBVORI 210412, LIBXSMM 1.16.2, ELPA 2021.05.002, PLUMED 2.7.2,
# SPGLIB 1.16.2, GSL 2.7, SIRIUS 7.2.7, COSMA 2.5.1
#
@ -17,7 +17,6 @@
exit 1; \
fi; \
this_file=${BASH_SOURCE##*/}; \
module rm daint-gpu; \
module add daint-mc; \
module rm PrgEnv-cray; \
module add PrgEnv-gnu; \
@ -25,12 +24,14 @@
module add gcc/8.3.0; \
module add cray-fftw; \
echo "Expected setup:"; \
echo " daint-mc"; \
echo " craype-broadwell"; \
echo " gcc/8.3.0"; \
echo " cray-mpich/7.7.16"; \
echo " craype-broadwell"; \
echo " daint-mc"; \
echo " cray-mpich/7.7.16"; \
echo " craype/2.7.3"; \
echo " cray-libsci/20.09.1"; \
echo " PrgEnv-gnu/6.0.9"; \
echo " gcc/8.3.0"; \
echo " cray-fftw/3.3.8.8"; \
module list; \
module -f save cp2k_mc_gnu_psmp; \
@ -42,7 +43,7 @@
return
# Set options (leave option blank or comment line to disable)
DO_CHECKS := yes
DO_CHECKS := no
GNU_VERSION := 8.3.0
USE_COSMA := 2.5.1
USE_ELPA := 2021.05.002

12
arch/CRAY-XC50_gnu.psmp
View file

@ -2,7 +2,7 @@
#
# CP2K arch file for Cray-XC50 (Piz Daint, CSCS, GPU partition)
#
# Tested with: GFortran 8.3.0, MPICH 3.2.1, Cray-libsci 20.09.1, Cray-FFTW 3.3.8, Libint 2.6.0,
# Tested with: GFortran 8.3.0, Cray-MPICH 7.7.16, Cray-libsci 20.09.1, Cray-FFTW 3.3.8, Libint 2.6.0,
# LIBXC 5.1.7, LIBVORI 210412, LIBXSMM 1.16.2, ELPA 2021.05.002, PLUMED 2.7.2,
# SPGLIB 1.16.2, GSL 2.7, SIRIUS 7.2.7, COSMA 2.5.1
#
@ -17,7 +17,6 @@
exit 1; \
fi; \
this_file=${BASH_SOURCE##*/}; \
module rm daint-mc; \
module add daint-gpu; \
module rm PrgEnv-cray; \
module add PrgEnv-gnu; \
@ -26,12 +25,13 @@
module add cray-fftw; \
module add cudatoolkit; \
echo "Expected setup:"; \
echo " daint-gpu"; \
echo " craype-haswell"; \
echo " gcc/8.3.0"; \
echo " cray-mpich/7.7.16"; \
echo " craype-haswell"; \
echo " daint-gpu"; \
echo " craype/2.7.3"; \
echo " cray-libsci/20.09.1"; \
echo " PrgEnv-gnu/6.0.9"; \
echo " gcc/8.3.0"; \
echo " cray-fftw/3.3.8.8"; \
echo " cudatoolkit/11.0.2_3.38-8.1__g5b73779"; \
module list; \
@ -44,7 +44,7 @@
return
# Set options (leave option blank or comment line to disable)
DO_CHECKS := yes
DO_CHECKS := no
GNU_VERSION := 8.3.0
USE_ACC := yes
USE_COSMA := 2.5.1