diff --git a/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.sopt.conf b/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.sopt.conf new file mode 100644 index 0000000000..c5ce648be0 --- /dev/null +++ b/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.sopt.conf @@ -0,0 +1,47 @@ +# Name of the Fortran compiler used +export FORT_C_NAME=gfortran-static + +# Name and path to the MPI Fortran compiler used +export MPI_F90=mpif90 + +# Base directory of CP2K +dir_base=$PWD + +# CP2K version: sopt (serial), popt (MPI), ssmp (OpenMP), psmp (MPI+OpenMP) or other (debug...) +cp2k_version=sopt + +# Arch +dir_triplet=Linux-x86-64-${FORT_C_NAME} +export ARCH=${dir_triplet} + +# CP2K directory in the base directory +cp2k_dir=cp2k + +# Number of MPI processes per task: should be 1 for serial or 2 for parallel runs +numprocs=1 + +# Number of threads per process: should be 2 or more for OpenMP runs otherwise 1 +export OMP_NUM_THREADS=1 + +# Maximum number of tasks (CPU cores assigned) for compilation and execution +# Set maxtasks greater than numprocs*OMP_NUM_THREAD or to a multiple of it +# Allocate all CPU cores for the regtest run +maxtasks=$(nproc --all) +# or restrict their number +#maxtasks=8 + +# Turn YES to stop regression testing if there are no changes in the svn repository +emptycheck="NO" + +# Turn YES if a memory leak checker is used +leakcheck="NO" + +# Default error tolerance +default_err_tolerance="1.0E-14" + +# *** how to execute an input file [ cp2k_prefix input cp2k_postfix ] +# Leave empty for serial, add path to mpirun for parallel execution +cp2k_run_prefix="" + +# Allow the config file to set the maximum allowed time. Useful for valgrind runs +job_max_time="900" diff --git a/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.ssmp.conf b/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.ssmp.conf new file mode 100644 index 0000000000..0d31821c1f --- /dev/null +++ b/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.ssmp.conf @@ -0,0 +1,47 @@ +# Name of the Fortran compiler used +export FORT_C_NAME=gfortran-static + +# Name and path to the MPI Fortran compiler used +export MPI_F90=mpif90 + +# Base directory of CP2K +dir_base=$PWD + +# CP2K version: sopt (serial), popt (MPI), ssmp (OpenMP), psmp (MPI+OpenMP) or other (debug...) +cp2k_version=ssmp + +# Arch +dir_triplet=Linux-x86-64-${FORT_C_NAME} +export ARCH=${dir_triplet} + +# CP2K directory in the base directory +cp2k_dir=cp2k + +# Number of MPI processes per task: should be 1 for serial or 2 for parallel runs +numprocs=1 + +# Number of threads per process: should be 2 or more for OpenMP runs otherwise 1 +export OMP_NUM_THREADS=2 + +# Maximum number of tasks (CPU cores assigned) for compilation and execution +# Set maxtasks greater than numprocs*OMP_NUM_THREAD or to a multiple of it +# Allocate all CPU cores for the regtest run +maxtasks=$(nproc --all) +# or restrict their number +#maxtasks=8 + +# Turn YES to stop regression testing if there are no changes in the svn repository +emptycheck="NO" + +# Turn YES if a memory leak checker is used +leakcheck="NO" + +# Default error tolerance +default_err_tolerance="1.0E-14" + +# *** how to execute an input file [ cp2k_prefix input cp2k_postfix ] +# Leave empty for serial, add path to mpirun for parallel execution +cp2k_run_prefix="" + +# Allow the config file to set the maximum allowed time. Useful for valgrind runs +job_max_time="900"