[molpro-user] gparam,lenbuf= ?

Krapnik krapnik at gmail.com
Tue Jan 23 16:13:06 GMT 2007


I have forgotten to attach the end of output file (Memory was set for 800
MW, disk was in maximum only 30% full):


AO integral compression algorithm  1   Integral accuracy      1.0D-13

     109655.622 MB (compressed) written to integral file ( 40.5%)

     Node minimum: 109655.622 MB, node maximum: 109655.622 MB


 NUMBER OF SORTED TWO-ELECTRON INTEGRALS:33128280906.     BUFFER LENGTH:
32768
 NUMBER OF SEGMENTS: 189  SEGMENT LENGTH:  175999431      RECORD LENGTH:
524288

 Memory used in sort:     176.56 MW

 ERROR WRITING        32768 WORDS AT OFFSET34091302912. TO FILE24
IMPLEMENTATION=eaf  FILE HANDLE=     2  IERR= -2000
 ? Error
 ? I/O error
 ? The problem occurs in writew

 GA ERROR fehler on processor   0
0:0:fehler on processor   0:: 4925500
  0: ARMCI aborting 4925500 (0x4b283c).
tmp =
/home/berka/pdir//usr/local/chem/molpro/2006.1_amd64-tcgmsg-64/lib/molprop_2006_1_i8_x86_64_tcgmsg.exe.p
 Creating: host=cerny2, user=berka,

file=/usr/local/chem/molpro/2006.1_amd64-tcgmsg-64/lib/molprop_2006_1_i8_x86_64_tcgmsg.exe,
port=38453


-- 
Karel "CaCO3" Berka
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