Subject: Gamess Error

From: Javier Eduardo Cuervo Sanchez <[email-masked]>
Date: Thu, 21 Jun 2001 11:46:25 -0400 (GMT)

Dear CCL's

I'm runing a geometry optimizacion of a gallium-sulfur vitreous system
and i got an unexpected error, the output file:

 ITER EX DEM  TOTAL ENERGY      E CHANGE  DENSITY CHANGE     ORB. GRAD
 PRD: NODE   0 ENCOUNTERED UNEXPECTED END OF FILE READING UNIT   8
 EXECUTION OF GAMESS TERMINATED ABNORMALLY AT Fri Jun  8 10:20:49 2001
 STEP CPU TIME =    60.18 TOTAL CPU TIME =     1176.9 (   19.6 MIN)
 TOTAL WALL CLOCK TIME=     1595.1 SECONDS, CPU UTILIZATION IS  73.78%
 853439 WORDS OF DYNAMIC MEMORY USED
 *** ERROR TERMINATION *** IN COMPUTE PROCESS     0

DATA SERVER STATS: TOTAL DISTRIBUTED MEMORY USED (MEMDDI)=       0 MWORDS.
FIRST DATA SERVER'S MAXIMUM MEMORY=             0 WORDS, CPU=      .0
SECONDS.

 IF YOU WANT A CORE FILE, SET COREFL=.TRUE. IN $SYSTEM.

The input file:

 $CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE COORD=ZMT ICHARG=-2 MULT=1
 NPRINT=-2 MAXIT=200 $END
 $BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 $END
 $STATPT NSTEP=100 $END
 $SYSTEM MWORDS=10 TIMLIM=10000 $END
 $DATA
Dimero.
Cn 1

GA
S      1   2.1425594
S      1   2.2583216  2   115.5332525
S      1   2.2577724  2   105.5917212  3   116.7657288  0
S      1   2.2391334  2   119.7790783  3  -126.5964541  0
GA     2   2.1402716  1   119.6449823  3    60.6357398  0
S      6   2.2614185  2   117.8157253  1   -62.8231618  0
S      6   2.2396026  2   116.2882690  1    65.1354206  0
S      6   2.2600081  2   107.0546642  1  -177.9179311  0
C      3   1.8337944  1   102.1815363  2    36.8053117  0
C      4   1.8327629  1   101.8894557  2  -176.8906050  0
C      5   1.8339937  1   103.6787861  2    74.2001842  0
C      7   1.8341035  6   103.6846520  2    78.9257691  0
C      8   1.8337560  6   101.9274436  2   172.6327696  0
C      9   1.8326124  6   101.7600803  2    48.1343417  0
H     10   1.0866301  3   111.3380717  1    61.0982383  0
H     10   1.0865811  3   109.1405672  1  -179.4598792  0
H     10   1.0862750  3   111.1899201  1   -59.9104487  0
H     11   1.0864157  4   111.2766851  1    56.4547070  0
H     11   1.0868650  4   109.3572775  1   176.1155327  0
H     11   1.0864388  4   111.4723310  1   -64.2152599  0
H     12   1.0862933  5   111.2885925  1    56.5472945  0
H     12   1.0863290  5   108.8206082  1   175.7502320  0
H     12   1.0865404  5   111.5210973  1   -64.8244408  0
H     13   1.0862743  7   111.2408685  6    53.5463059  0
H     13   1.0863690  7   108.9236892  6   172.7685494  0
H     13   1.0864654  7   111.4899190  6   -67.6841774  0
H     14   1.0863240  8   111.4209710  6    54.5432000  0
H     14   1.0866920  8   109.2179813  6   174.2771431  0
H     14   1.0864271  8   111.3440647  6   -66.1722440  0
H     15   1.0869077  9   111.3898796  6    69.1670317  0
H     15   1.0867755  9   109.3797939  6  -171.3597521  0
H     15   1.0861165  9   111.0850120  6   -51.5358280  0
 $END

Thanks in advance for any help

Javier Cuervo