Add Intel popt regression tester arch file

arch/Linux-x86-64-intel-regtest.popt

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+# Tested with: Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 17.0.4.196 Build 20170411
+#              Intel MPI, Libxc 4.2.3, libxsmm 1.9, ELPA 2017.05.003, PLUMED 2.1.2
+# Author: Matthias Krack (matthias.krack@psi.ch, PSI, October 2018)
+
+include      $(MPI_PATH)/plumed/2.1.2/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
+
+LIBINT_INC  = $(INTEL_DIR)/libint/1.1.4-LARGE_L/include
+LIBINT_LIB  = $(INTEL_DIR)/libint/1.1.4-LARGE_L/lib
+LIBXC_INC   = $(INTEL_DIR)/libxc/4.2.3/include
+LIBXC_LIB   = $(INTEL_DIR)/libxc/4.2.3/lib
+LIBXSMM_INC = $(INTEL_DIR)/libxsmm/1.9/include
+LIBXSMM_LIB = $(INTEL_DIR)/libxsmm/1.9/lib
+
+CC          = mpicc
+CPP         =
+FC          = mpiifort
+LD          = mpiifort
+AR          = ar -r
+CPPFLAGS    =
+DFLAGS      = -D__ELPA=201705 -D__F2008 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM \
+              -D__MKL -D__MPI_VERSION=3 -D__PLUMED2 \
+              -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 \
+              -D__parallel -D__SCALAPACK
+CFLAGS      = $(DFLAGS) -O2
+FCFLAGS     = $(DFLAGS) -O2 -funroll-loops -fpp -free
+FCFLAGS    += -fp-model precise
+FCFLAGS    += -g -traceback
+FCFLAGS    += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
+FCFLAGS    += -I$(LIBINT_INC)
+FCFLAGS    += -I$(LIBXC_INC)
+FCFLAGS    += -I$(LIBXSMM_INC)
+FCFLAGS    += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
+LDFLAGS     = $(FCFLAGS) -static-intel -static_mpi
+LDFLAGS_C   = $(FCFLAGS) -static-intel -nofor_main
+MKL_LIB     = ${MKLROOT}/lib/intel64
+LIBS        = $(PLUMED_DEPENDENCIES) -lz
+LIBS       += $(ELPA_LIB)/libelpa.a -lstdc++
+LIBS       += $(MKL_LIB)/libmkl_scalapack_lp64.a \
+              -Wl,--start-group \
+	           $(MKL_LIB)/libmkl_intel_lp64.a \
+              ${MKL_LIB}/libmkl_sequential.a \
+      	     $(MKL_LIB)/libmkl_core.a \
+              ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a \
+              -Wl,--end-group
+LIBS       += $(LIBXC_LIB)/libxcf03.a $(LIBXC_LIB)/libxc.a
+LIBS       += $(LIBINT_LIB)/libderiv.a $(LIBINT_LIB)/libint.a
+LIBS       += $(LIBXSMM_LIB)/libxsmmf.a $(LIBXSMM_LIB)/libxsmm.a
+
+# Required due to memory leak that occurs if high optimisations are used
+mp2_optimize_ri_basis.o: mp2_optimize_ri_basis.F
+	$(FC) -c $(subst O2,O0,$(FCFLAGS)) $<

tools/regtesting/regtest_conf/Linux-x86-64-intel-regtest.popt.conf

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+# Name of the Fortran compiler used
+export FORT_C_NAME=intel-regtest
+
+# Name and path to the MPI Fortran compiler used
+export MPI_F90=mpiifort
+
+# Base directory of CP2K
+dir_base=$PWD
+
+# CP2K version: sopt (serial), popt (MPI), ssmp (OpenMP), psmp (MPI+OpenMP) or other (debug...)
+cp2k_version=popt
+
+# Arch 
+dir_triplet=Linux-x86-64-${FORT_C_NAME}
+export ARCH=${dir_triplet}
+
+# CP2K directory in the base directory
+cp2k_dir=cp2k
+
+# Number of MPI processes per task: should be 1 for serial or 2 for parallel runs
+numprocs=2
+
+# Number of threads per process: should be 2 or more for OpenMP runs otherwise 1
+numthreads=1
+
+# Maximum number of tasks (CPU cores assigned) for compilation and execution
+# Set maxtasks greater than numprocs*numthreads or to a multiple of it
+# Allocate all CPU cores for the regtest run
+maxtasks=$(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="mpiexec -np ${numprocs}"
+
+# Allow the config file to set the maximum allowed time. Useful for valgrind runs
+job_max_time="900"