https://vasp.at/wiki/index.php?action=history&feed=atom&title=Makefile.include.amdflang_omp 2026-04-11T11:04:04Z Revision history for this page on the wiki MediaWiki 1.40.1 https://vasp.at/wiki/index.php?title=Makefile.include.amdflang_omp&diff=35439&oldid=prev 2026-03-23T08:37:22Z

<p>Created page with &quot;{{DISPLAYTITLE:makefile.include.amdflang_omp}} &lt;pre&gt; # Default precompiler options CPP_OPTIONS = -DHOST=\&quot;LinuxGNU\&quot; \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP \ -DAMDFLANG CPP = cpp --traditional -E -P $*$(FUFFIX) &gt;$*$(SUFFIX) $...&quot;</p> <p><b>New page</b></p><div>{{DISPLAYTITLE:makefile.include.amdflang_omp}}<br /> &lt;pre&gt;<br /> # Default precompiler options<br /> CPP_OPTIONS = -DHOST=\&quot;LinuxGNU\&quot; \<br /> -DMPI -DMPI_BLOCK=8000 -Duse_collective \<br /> -DscaLAPACK \<br /> -DCACHE_SIZE=4000 \<br /> -Davoidalloc \<br /> -Dvasp6 \<br /> -Dtbdyn \<br /> -Dfock_dblbuf \<br /> -D_OPENMP \<br /> -DAMDFLANG<br /> <br /> <br /> CPP = cpp --traditional -E -P $*$(FUFFIX) &gt;$*$(SUFFIX) $(CPP_OPTIONS)<br /> <br /> FC = mpif90 -fopenmp<br /> FCL = mpif90 -fopenmp<br /> <br /> FREE = -ffree-form -ffixed-line-length=1024<br /> <br /> FFLAGS = -w #-fbackslash -w<br /> <br /> OFLAG = -O2<br /> OFLAG_IN = $(OFLAG)<br /> DEBUG = -O0<br /> <br /> # For what used to be vasp.5.lib<br /> CPP_LIB = $(CPP)<br /> FC_LIB = $(FC)<br /> CC_LIB = amdclang<br /> CFLAGS_LIB = -O<br /> FFLAGS_LIB = -O1<br /> FREE_LIB = $(FREE)<br /> <br /> OBJECTS_LIB = linpack_double.o<br /> <br /> # For the parser library<br /> CXX_PARS = amdclang++<br /> LLIBS = -lstdc++<br /> <br /> ##<br /> ## Customize as of this point! Of course you may change the preceding<br /> ## part of this file as well if you like, but it should rarely be<br /> ## necessary ...<br /> ##<br /> <br /> # When compiling on the target machine itself, change this to the<br /> # relevant target when cross-compiling for another architecture<br /> VASP_TARGET_CPU ?=<br /> FFLAGS += $(VASP_TARGET_CPU)<br /> <br /> # BLAS (mandatory)<br /> AMDBLIS_ROOT ?= /path/to/your/blis/installation<br /> BLAS = -L${AMDBLIS_ROOT}/lib/LP64 -lblis-mt<br /> <br /> # LAPACK (mandatory)<br /> AMDLAPACK_ROOT ?= /path/to/your/lapack/installation<br /> LAPACK = -L${AMDLAPACK_ROOT}/lib64 -llapack<br /> <br /> # scaLAPACK (mandatory)<br /> AMDSCALAPACK_ROOT ?= /path/to/your/scalapack/installation<br /> SCALAPACK = -L${AMDSCALAPACK_ROOT}/lib/LP64 -lscalapack<br /> <br /> LLIBS += $(SCALAPACK) $(LAPACK) $(BLAS)<br /> <br /> # FFTW (mandatory)<br /> AMDFFTW_ROOT ?= /path/to/your/fftw/installation<br /> LLIBS += -L$(AMDFFTW_ROOT)/lib -lfftw3 -lfftw3_omp<br /> INCS += -I$(AMDFFTW_ROOT)/include<br /> <br /> # HDF5-support (optional but strongly recommended)<br /> #CPP_OPTIONS+= -DVASP_HDF5<br /> #HDF5_ROOT ?= /path/to/your/hdf5/installation<br /> #LLIBS += -L$(HDF5_ROOT)/lib -lhdf5_fortran<br /> #INCS += -I$(HDF5_ROOT)/include<br /> <br /> # For the VASP-2-Wannier90 interface (optional)<br /> #CPP_OPTIONS += -DVASP2WANNIER90<br /> #WANNIER90_ROOT ?= /path/to/your/wannier90/installation<br /> #LLIBS += -L$(WANNIER90_ROOT)/lib -lwannier<br /> <br /> # For the fftlib library (recommended)<br /> #CPP_OPTIONS+= -Dsysv<br /> #FCL += fftlib.o<br /> #CXX_FFTLIB = clang++ -fopenmp -std=c++11 -DFFTLIB_THREADSAFE<br /> #INCS_FFTLIB = -I./include -I$(AMDFFTW_ROOT)/include<br /> #LIBS += fftlib<br /> #LLIBS += -ldl<br /> &lt;/pre&gt;<br /> -----<br /> [[makefile.include]]<br /> <br /> [[Category:VASP]]<br /> [[Category:Installation]]</div>

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