3/20/2024 0 Comments Install gfortran fedora![]() Build std, gam and ncl versions of VASPĪfter a successful build the corresponding executables are found in.OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o SCALAPACK = -L$(LIBDIR)/openmpi/lib -lscalapack $(BLACS) DMPI -DMPI_BLOCK=8000 -Duse_collective \ĬPP = gcc -E -P -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)įREE = -ffree-form -ffree-line-length-none Create a file "makefile.include" with following content.# yum install lapack-devel openmpi-devel scalapack-openmpi-devel fftw2-devel fftw-devel The following command installs all necessary libraries for VASP, that is LAPACK, SCALAPACK, OpenMPI and FFTW.# yum install automake gcc gcc-c++ gcc-gfortran kernel-devel Open a terminal and make sure that all relevant GNU compilers are installed.Note, that following steps yield a version of VASP without OpenMP support. If you use with purge options to gfortran-5 package all the configuration and dependent packages will be removed. If you would like to remove gfortran-5 and its dependent packages which are no longer needed from Ubuntu, sudo apt-get remove -auto-remove gfortran-5 Use Purging gfortran-5. Fedora 29 is currently broken without a known fix. Uninstall gfortran-5 including dependent package. This guide was tested successfully for Fedora 27. The following guide builds an OpenMPI version of VASP using the GNU compiler suite and the LAPACK, SCALAPACK and FFTW library provided by the internal package manager YUM.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |