[gmx-users] Zdock

Siavoush Dastmalchi Dastmalchi.s at tbzmed.ac.ir
Sun Jan 13 15:59:55 CET 2008

Hi There,
I know this is not related to GMX, but was wondering if any one has any experience with mpi enabled zdock on linux based cluster. Specifically, I am trying to use zdock2.3_linux_mpi version on a cluster of Opteron 2212 CPUs. It looks like the application works on all nods but can not write out the results into the output file. This does not happen when I use non-mpi version (zdock3.0_linux_p3) on a single processor. Here is the error that I get:
$ sort: open failed: +6: No such file or directory
Also the content of the generated output file is like this (comparing to content of the output file for zdock3.0_linux_p3 program, nothing has been written to it):
105     1.2
0.000000        0.000000        0.000000
1CGI_r_m.pdb    23.552  26.554  22.589
1CGI_l_m_bl.pdb 43.446  33.312  33.288
I appreciate any suggestion.
Cheers, Siavoush

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