Wolloch at 09:40, 10 March 2026

2026-03-10T09:40:51Z

← Older revision		Revision as of 09:40, 10 March 2026
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	{{DISPLAYTITLE:makefile.include.~~oneapi_omp~~}}		{{DISPLAYTITLE:makefile.include.cray_omp}}
	<pre>		<pre>
	# Precompiler options		# Precompiler options

Wolloch: Wolloch moved page Construction:Makefile.include.cray omp to Makefile.include.cray omp

2026-03-10T09:34:31Z

Wolloch moved page Construction:Makefile.include.cray omp to Makefile.include.cray omp

← Older revision	Revision as of 09:34, 10 March 2026
(No difference)

Wolloch: Created page with "{{DISPLAYTITLE:makefile.include.oneapi_omp}}

 # Precompiler options CPP_OPTIONS = -DHOST=\"LinuxFTN\" \               -DMPI -DMPI_BLOCK=8000 -Duse_collective \               -DscaLAPACK \               -DCACHE_SIZE=4000 \               -Davoidalloc \               -DMPI_INPLACE \               -Dvasp6 \               -Dtbdyn \               -Dfock_dblbuf \               -D_OPENMP  CPP        = cpp --traditional -E -P -Wno-endif-labels $*$(FUFFIX) >$*$(SUFFIX) $(CPP_..."

2026-03-06T10:15:57Z

Created page with "{{DISPLAYTITLE:makefile.include.oneapi_omp}} <pre> # Precompiler options CPP_OPTIONS = -DHOST=\"LinuxFTN\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -DMPI_INPLACE \ -Dvasp6 \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP CPP = cpp --traditional -E -P -Wno-endif-labels $*$(FUFFIX) >$*$(SUFFIX) $(CPP_..."

New page

{{DISPLAYTITLE:makefile.include.oneapi_omp}}
<pre>
# Precompiler options
CPP_OPTIONS = -DHOST=\"LinuxFTN\" \
-DMPI -DMPI_BLOCK=8000 -Duse_collective \
-DscaLAPACK \
-DCACHE_SIZE=4000 \
-Davoidalloc \
-DMPI_INPLACE \
-Dvasp6 \
-Dtbdyn \
-Dfock_dblbuf \
-D_OPENMP

CPP = cpp --traditional -E -P -Wno-endif-labels $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)

FC = ftn -homp
FCL = $(FC)

FREE = -ffree -N 1023

FFLAGS = -dC -rmo -emEb
# suppress warnings
FFLAGS += -m 4

# O1 is recommended, higher opt levels cause compiler problems, performance difference between O1 and O2 is negligible
OFLAG = -O1
OFLAG_IN = $(OFLAG)
DEBUG = -O0

# fine grain control over lapack, by default ftn will link libsci with the appropriate configuration
# LAPACK = -L${CRAY_LIBSCI_PREFIX_DIR}/lib -lsci_cray_mpi
# LLIBS = $(LAPACK)

# FFTW_ROOT ?= /opt/cray/pe/fftw/3.3.8.11/x86_rome
LLIBS += -L$(FFTW_ROOT)/lib -lfftw3 -lfftw3_omp
INCS = -I$(FFTW_ROOT)/include

#
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = cc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)

OBJECTS_LIB= linpack_double.o getshmem.o

# For the parser library
CXX_PARS = CC
LLIBS += -lstdc++

# Normally no need to change this
SRCDIR = ../../src
BINDIR = ../../bin

# HDF5-support (optional but strongly recommended, and mandatory for some features)
#CPP_OPTIONS+= -DVASP_HDF5
#HDF5_ROOT ?= /path/to/your/hdf5/installation
#LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran
#INCS += -I$(HDF5_ROOT)/include

# For the VASP-2-Wannier90 interface (optional)
#CPP_OPTIONS += -DVASP2WANNIER90
#WANNIER90_ROOT ?= /path/to/your/wannier90/installation
#LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier

# special cray workarounds
CRAYFTNVER=$(shell crayftn --version 2>/dev/null | grep "Version" | sed -n 's/.*Version $[0-9]\+$\..*/\1/p')
CPP_OPTIONS += -D__DCRAYFTN_VERSION=$(CRAYFTNVER)
----
[[makefile.include]]

[[Category:VASP]]
[[Category:Installation]]

Makefile.include.cray omp - Revision history

Wolloch at 09:40, 10 March 2026

Wolloch: Wolloch moved page Construction:Makefile.include.cray omp to Makefile.include.cray omp