Toolchains

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Revision as of 15:02, 31 January 2020 by Kaltakm (talk | contribs)

To compile VASP successfully, all versions of the chosen toolchain must be compatible with each other. This can sometimes be challenging, so that we provide a list of four compatible toolchains that have been used successfully for building and validating VASP 6.1.0 on Ubuntu Server 18.04.

Apart from a C and FORTRAN compiler, the parallel versions of VASP "vasp_std, vasp_gam, vasp_ncl" depend on four additional libraries:

The CUDA port of VASP does not depend on ScaLAPACK, however, a compatible CUDA toolkit is required.

The following toolchains have been tested successfully on Ubuntu Server 18.04.

The CUDA ports "vasp_gpu, vasp_gpu_ncl" have been successfully build and validated with following toolchains:

Selected Makefiles

Related Sections

Installing VASP, Precompiler flags, GPU port of VASP, Validation tests


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