[molpro-user] gparam,lenbuf= ?

[Benj FitzPatrick]

Karel,
Did you compile global arrays with the large file option?  I ran into this when
GA did not have large files enabled.
Cheers,
Benj FitzPatrick
University of Chicago

---- Original message ----
>Date: Tue, 23 Jan 2007 17:13:06 +0100
>From: Krapnik <krapnik at gmail.com>  
>Subject: [molpro-user] gparam,lenbuf= ?  
>To: molpro-user at molpro.net
>
>   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