| System Type | Template File | |-------------|---------------| | Intel CPUs, Intel Compilers | makefile.include.linux_intel | | Intel CPUs, GNU Compilers | makefile.include.linux_gnu | | PGI Compilers | makefile.include.linux_pgi | | NVIDIA GPU Systems | makefile.include.linux_intel + GPU flags | | ARM/Kunpeng Processors | Custom configuration |
: Users must compile this code using Fortran compilers (like Intel vasp.5.4.4.tar.gz
The file is a compressed tarball containing the source code for VASP version 5.4.4. It is a proprietary software package distributed by the VASP Group at the University of Vienna. Key Characteristics of 5.4.4 To enable OpenMP (shared memory) for multi-threaded nodes:
By default, VASP 5.4.4 compiles as pure MPI. To enable OpenMP (shared memory) for multi-threaded nodes: Add -D_OPENMP to CPP_OPTIONS and -qopenmp to FFLAGS . Then set OMP_NUM_THREADS at runtime. and highlights the pain points.
Short, punchy, and highlights the pain points.