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<DIV><BR>In God We Trust</DIV>
<DIV>Hi Dr Biswas <BR>Thank you for your guids.Excuse me for many question.
I am using a serial version of CPMD. I made cpmdmpi script and corrected the
path of cpmd.x ( /root/CPMD-3.11.1/SOURCE/cpmd.x CPMD_inp.run.),but
when I run rgmx script , mdrun says:<BR> <BR> GROMACS awaits
QM-result for present step ==========<BR>/root/CPMD-3.11.1/SOURCE/cpmd.x:
error while loading shared libraries: libsvml.so: cannot open shared object
file: No such file or directory<BR> <BR> <BR>I attached my cpmdmpi
to this mail .Would appreciate if you got any more ideas what went wrong.
<BR>Thank you very much in advance for your kindness and your reply.<BR>
Sincerely yours<BR>Karim Mahnam<BR>Institute of Biochemistry
and Biophysics (IBB)<BR>Tehran University <BR>P.O.box 13145-1384<BR>
Tehran <BR>Iran <BR><A href="http://www.ibb.ut.ac.ir/">
http://www.ibb.ut.ac.ir/</A></DIV>
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