[gmx-users] Query about GPU version of Gromacs

Pruthvi Bejugam pruthvi.nccs at gmail.com
Fri Nov 23 10:53:21 CET 2012

Hai all,

           Can any body suggest me which is most stable version of
GPU-GROMCS. and as far as Gromacs site is concerned currently all the
versions are unstable. If there is no stable version for GPU is available
then when would a stable version for GPU would be released.

and another query is when i was compiling this

gromacs-4.5-GPU-beta2_linux-X86_64.tar.gz (Unstable)

 GPU version of Gromacs i get path error where it is showing that gcc
compiler is not at the
given path even though path for all the gcc compilers remains the same.

any suggestions would be greatly appreciated.

Thank you,

PruthviRaj Bejugam,
Junior Research Fellow,
Lab. No.9 (New Building)
Computational and Systems Biology Lab,
National Centre for Cell Science,
Ganeshkhindh, Pune, INDIA 411007

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