RE: [Apbs-users] 1ucu.pdb with parallel calculation

[Nathan B. <ba...@bi...>]

Can you please describe your problems?

Thanks,

Nathan

--
Nathan A. Baker, Assistant Professor
Washington University in St. Louis School of Medicine
Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology
700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110
Phone:  (314) 362-2040, Fax:  (314) 362-0234
URL:  http://www.biochem.wustl.edu/~baker  

> -----Original Message-----
> From: apb...@ch... 
> [mailto:apb...@ch...] On Behalf Of 
> Valodymyr Nechyporuk-Zloy
> Sent: Tuesday, October 26, 2004 4:22 AM
> To: apb...@ch...
> Subject: [Apbs-users] 1ucu.pdb with parallel calculation
> 
> Dear APBS users,
> 
> I have compiled APBS on cluster. The software works fine with 
> APO files from the tutorial. Now, I submitted 1ucu. pdb to 
> PDB2PQR server for generation of pqr and in files.
> Unfortunately, I have some problems with my calculation. I 
> attached all files.
> I tried to submit job to 64 nodes with 2 processors.
> Thank you very much for your future help.
> 
> Volodya
>