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mkrack committed Feb 4, 2020
1 parent 40778af commit cf7cce6
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Showing 4 changed files with 20 additions and 20 deletions.
10 changes: 5 additions & 5 deletions arch/Linux-x86-64-intel-minimal.popt
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Expand Up @@ -4,7 +4,7 @@
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.4.243 Build 20190416
# Intel MPI, MKL
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, December 2019)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2020)

CC = mpiicc
FC = mpiifort
Expand All @@ -18,19 +18,19 @@ DFLAGS += -D__parallel -D__SCALAPACK

FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -fpp -fp-model precise -free -funroll-loops
FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FCFLAGS += -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw

LDFLAGS = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor_main

MKL_LIB = ${MKLROOT}/lib/intel64
MKL_LIB = $(MKLROOT)/lib/intel64

LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS += -Wl,--start-group
LIBS += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS += ${MKL_LIB}/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_core.a
LIBS += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a
LIBS += $(MKL_LIB)/libmkl_blacs_intelmpi_lp64.a
LIBS += -Wl,--end-group

# Required due to memory leak that occurs if high optimisations are used
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10 changes: 5 additions & 5 deletions arch/Linux-x86-64-intel-minimal.psmp
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.4.243 Build 20190416
# Intel MPI, MKL
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, December 2019)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, Januar 2020)

CC = mpiicc
FC = mpiifort
Expand All @@ -18,19 +18,19 @@ DFLAGS += -D__parallel -D__SCALAPACK

FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -fopenmp -fpp -fp-model precise -free -funroll-loops
FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FCFLAGS += -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw

LDFLAGS = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor_main

MKL_LIB = ${MKLROOT}/lib/intel64
MKL_LIB = $(MKLROOT)/lib/intel64

LIBS = $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS += -Wl,--start-group
LIBS += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS += ${MKL_LIB}/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_core.a
LIBS += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a
LIBS += $(MKL_LIB)/libmkl_blacs_intelmpi_lp64.a
LIBS += -Wl,--end-group

# Required due to memory leak that occurs if high optimisations are used
Expand Down
10 changes: 5 additions & 5 deletions arch/Linux-x86-64-intel-regtest.popt
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.4.243 Build 20190416
# Intel MPI, MKL, Libint 2.6.0, Libxc 4.3.4, libxsmm 1.14, ELPA 2019.05.001, PLUMED 2.5.2, SPGLIB 1.12.2
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, December 2019)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2020)

CC = mpiicc
FC = mpiifort
Expand Down Expand Up @@ -36,14 +36,14 @@ DFLAGS += -D__CHECK_DIAG

FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -fpp -fp-model precise -free -funroll-loops
FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FCFLAGS += -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
FCFLAGS += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
FCFLAGS += -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC)

LDFLAGS = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor_main

MKL_LIB = ${MKLROOT}/lib/intel64
MKL_LIB = $(MKLROOT)/lib/intel64

LIBS = $(PLUMED_DEPENDENCIES) $(GSL_LIBRARY_DIR)/libgsl.a $(GSL_LIBRARY_DIR)/libgslcblas.a $(LIBPATH)/libz.a
LIBS += $(ELPA_LIB)/libelpa.a
Expand All @@ -54,9 +54,9 @@ LIBS += $(SPGLIB_LIB)/libsymspg.a
LIBS += $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS += -Wl,--start-group
LIBS += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS += ${MKL_LIB}/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_core.a
LIBS += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a
LIBS += $(MKL_LIB)/libmkl_blacs_intelmpi_lp64.a
LIBS += -Wl,--end-group
LIBS += $(GCC_LIBRARY_DIR)/libstdc++.a

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10 changes: 5 additions & 5 deletions arch/Linux-x86-64-intel-regtest.psmp
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.3.199 Build 20190206
# Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.4.243 Build 20190416
# Intel MPI, MKL, Libint 2.6.0, Libxc 4.3.4, libxsmm 1.14, ELPA 2019.05.001, PLUMED 2.5.2, SPGLIB 1.12.2
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, December 2019)
# Author: Matthias Krack (matthias.krack@psi.ch, PSI, January 2020)

CC = mpiicc
FC = mpiifort
Expand Down Expand Up @@ -36,14 +36,14 @@ DFLAGS += -D__CHECK_DIAG

FCFLAGS = $(CFLAGS) $(DFLAGS)
FCFLAGS += -fopenmp -fpp -fp-model precise -free -funroll-loops
FCFLAGS += -I${MKLROOT}/include -I${MKLROOT}/include/fftw
FCFLAGS += -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
FCFLAGS += -I$(ELPA_INC)/elpa -I$(ELPA_INC)/modules
FCFLAGS += -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(LIBXSMM_INC)

LDFLAGS = $(FCFLAGS) -static-intel -static_mpi
LDFLAGS_C = -nofor_main

MKL_LIB = ${MKLROOT}/lib/intel64
MKL_LIB = $(MKLROOT)/lib/intel64

LIBS = $(PLUMED_DEPENDENCIES) $(GSL_LIBRARY_DIR)/libgsl.a $(GSL_LIBRARY_DIR)/libgslcblas.a $(LIBPATH)/libz.a
LIBS += $(ELPA_LIB)/libelpa_openmp.a
Expand All @@ -54,9 +54,9 @@ LIBS += $(SPGLIB_LIB)/libsymspg.a
LIBS += $(MKL_LIB)/libmkl_scalapack_lp64.a
LIBS += -Wl,--start-group
LIBS += $(MKL_LIB)/libmkl_intel_lp64.a
LIBS += ${MKL_LIB}/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_sequential.a
LIBS += $(MKL_LIB)/libmkl_core.a
LIBS += ${MKL_LIB}/libmkl_blacs_intelmpi_lp64.a
LIBS += $(MKL_LIB)/libmkl_blacs_intelmpi_lp64.a
LIBS += -Wl,--end-group
LIBS += $(GCC_LIBRARY_DIR)/libstdc++.a

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