[gmx-users] Problems when running gromacs

Faust SHI shi86 at wisc.edu
Wed Jun 29 00:57:21 CEST 2016


Hi sir,

I faced problems when running gromacs in Linux. I have  installed Gromacs 5.1.2 following quick and dirty installation in http://manual.gromacs.org/documentation/5.1.2/install-guide/index.html. And there was no error occurring when  I configured and installed the program. However I received error information when I submit my sh file to the server. The error information is "/share/apps/gromacs_5.1.2/bin/gmx_mpi: error while loading shared libraries: liblapack.so.3: cannot open shared object file: No such file or directory” I have searched on Internet and found no useful solution to that problem. Do you have any suggestion? Thanks!


Yours sincerely,

Faust


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