PC GAMESS-related discussion club

Roman Zubatyuk
zubatyuk@gmail.com

I'm running PC GAMESS 7.0.7 (MPICH Pentium4 version, dynamically linked) on RedHat 9.0 system. Some runs are OK, but sometimes PC GAMESS executable goes into idle state, without any error messages.
Sometimes this happens during parallel runs. In this case PC GAMESS on one node is in idle state, but on other is 'running' with 25% user, 75% system cpu times.

Here is the report:

roman@t28 /tmp/condor/dir_23861$ tail *.log
CPU        TIME:   STEP =      0.00 ,  TOTAL =        4.5 SECONDS (    0.1 MIN)
WALL CLOCK TIME:   STEP =      0.00 ,  TOTAL =        4.5 SECONDS (    0.1 MIN)
CPU UTILIZATION:   STEP =      0.00%,  TOTAL =     100.00%

DIRECT SCF CALCULATION, SCHWRZ=T   FDIFF=F

                                                                             NONZERO    BLOCKS
ITER EX DEM  TOTAL ENERGY      E CHANGE  DENSITY CHANGE    DIIS ERROR      INTEGRALS   SKIPPED
         * * *   INITIATING DIIS PROCEDURE   * * *
  1  0  0    -7.271573315    -7.271573315   0.974785933   0.044630982             -1 387111604
roman@t28 /tmp/condor/dir_23861$ ps xuww |grep pgamess
roman    23867 10.8  8.1 1018144 82624 ?     SN   20:53   8:01 pgamess -p -i /tmp/condor/dir_23861/kamal68-cliw1-bs2.inp -o /tmp/condor/dir_23861/kamal68-cliw1-bs2.log -ex /usr/local/appls/pcgms/p4p -t /tmp/condor/dir_23861/RUN -b /usr/local/appls/pcgms/p4p
roman    23950  0.0  0.0  3572  628 pts/0    S    22:07   0:00 grep pgamess

Thanks for your help.
  Roman.