Dear All,

Has anyone ever encountered this error before and know of a cure?

<Apr16-99> <03:09:59> 44 ErrMat 0.00002705 MaxEl -0.00000466
<Apr16-99> <03:26:41> 45 ErrMat 0.00007109 MaxEl -0.00001170
<Apr16-99> <03:44:40> 46 ErrMat 0.00003335 MaxEl -0.00000518
<Apr16-99> <04:00:44> 47 ErrMat 0.00001055 MaxEl -0.00000175
<Apr16-99> <04:06:26> SCF converged
<Apr16-99> <04:14:33> 48 ErrMat 0.00000403 MaxEl -0.00000049
<Apr16-99> <04:33:30> >>>> COREPS
<Apr16-99> <04:34:17> >>>> TOTEN
<Apr16-99> <07:27:58> STOP RECEIVED
<Apr16-99> <07:30:04> WARNING: not all scratch files were closed
<Apr16-99> <07:30:05> END

The single point calculation (68 atoms) was done on an SGI power challenge using 6
processors. However, the calculation fails at the same point regardless of the number
of processors and user i.d. used.

Any suggestions to rectify this problem will be gladly received.

        Thanks,
                
                        Tim Lovell
                        
____________________________________
Dr. Timothy Lovell
Dept. of Molecular Biology, TPC-15
The Scripps Research Institute
La Jolla CA 92037
USA
Tel: +1 (619) 784 8296
Fax: +1 (619) 784 8896
email: tlovell_at_scripps.edu
____________________________________
Received on 1999-04-19 13:17:24