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jmcarr
Unregistered guest
Posted on Tuesday, November 03, 2015 - 8:23 pm:   

Hi everyone. We have recently installed WebMO/GAMESS on our virtual server at the college (Windows-based). GAMESS is crashing (2013 R1 Windows precompiled binary), where the output file reads that we are exceeding CPU limits. My IT department has increased memory to 16 GB and the number of CPUs up to 16. We think we've given more than sufficient resources, but the software keeps crashing. Any suggestions?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 476
Registered: 11-2006
Posted on Tuesday, November 03, 2015 - 9:16 pm:   

Jim,

Can you please post the exact error message / end of the output file. I'm not sure what "CPU limits" would mean.
jmcarr
Unregistered guest
Posted on Tuesday, November 03, 2015 - 9:31 pm:   

Here's an excerpt from the text:

----------------------
INTEGRAL INPUT OPTIONS
----------------------
NOPK = 1 NORDER= 0 SCHWRZ= F

--- ENCODED Z MATRIX ---
COORD TYPE I J K L M N
1 1 2 1
2 1 3 1
3 2 3 1 2

THE DETERMINANT OF THE G MATRIX IS 10**( -79)

THE DETERMINANT OF THE G MATRIX IS 10**( -79)
SIZE OF DETERMINANT SUGGESTS A SINGULAR G MATRIX.
BOMBING. CHECK YOUR COORDINATES
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Mon Nov 02 10:14:20 2015
580000 WORDS OF DYNAMIC MEMORY USED
STEP CPU TIME = 0.53 TOTAL CPU TIME = 0.6 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 0.6 SECONDS, CPU UTILIZATION IS 103.52%

job aborted:
[ranks] message

[0] process exited without calling finalize

[1] terminated

---- error analysis -----

[0] on WebMO
C:\gamess.64\gamess.13-64.intel.fast.mkl.exe ended prematurely and may have crashed. exit code 255

---- error analysis -----
Disk usage (in bytes)
========================================
11/02/2015 10:14 AM 325 input.F05
11/02/2015 10:14 AM 0 input.F08
11/02/2015 10:14 AM 1,079,760 input.F10
11/02/2015 10:14 AM 10,356 input.GMS.ENV
11/02/2015 10:14 AM 95 input.processes.mpd
----------------------------------------
Local date and time
========================================
Mon 11/02/2015 - 10:14:46.67
JR Schmidt
Moderator
Username: Schmidt

Post Number: 477
Registered: 11-2006
Posted on Tuesday, November 03, 2015 - 9:34 pm:   

This indicates an error with the input geometry, not any CPU memory limits. If the input was generated by WebMO, please post it.
jmcarr
Unregistered guest
Posted on Wednesday, November 04, 2015 - 2:00 pm:   

Every molecule that I have built in WebMO crashes whenever I run any GAMESS calculation. I didn't know if the problem fell into WebMO territory or GAMESS territory.

Thanks for your help.

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