[gmx-users] mdrun error

Mahnam mahnam at ibb.ut.ac.ir
Thu Jun 15 10:55:37 CEST 2006

In God We Trust
Hi Dr Biswas 
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:
 GROMACS awaits QM-result for present step ==========
/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
I attached my cpmdmpi to this mail .Would appreciate if you got any more 
ideas what went wrong. 
Thank you very much in advance for your kindness and your reply.
Sincerely yours
Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University 
P.O.box 13145-1384
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