Toolchains: Difference between revisions

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== Related Sections ==
== Related Sections ==
[[Installing VASP]],
[[Installing VASP.6.X.X]],
[[Precompiler flags]],
[[Precompiler flags]],
[[GPU port of VASP]],
[[GPU port of VASP]],
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[[The_VASP_Manual|Contents]]
[[The_VASP_Manual|Contents]]


[[Category:VASP]][[Category:Installation]][[Category:Performance]][[Category:GPU]]
[[Category:VASP]][[Category:Installation]][[Category:Performance]][[Category:GPU]][[Category:VASP6]]

Revision as of 17:30, 31 January 2020

VASP depends on several software libraries that have to be installed on the system and 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 "vasp_std, vasp_gam, vasp_ncl" depend on four 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.6.X.X, Precompiler flags, GPU port of VASP, Validation tests


Contents