[molpro-user] problem with parallel molpro 2002-9/10, goto blas, and uccsd(t)

[Benj FitzPatrick]

Hello,
I've run into a problem when I use parallel molpro (compiled
with pathscale 2.3.1), ga-3.4b, goto blas 1.0 and lapack
compiled against it on an amd64 machine.  

Looking at the eaf part (below) it seems that this is a global
arrays error, but I'm unsure why as I'm only using a single
processor.  I have attached the input file, output file, and
my config file.  This only happens when I use the parallel
version, though I'm only using it with a single processor. 
This doesn't happen when I run the job with the ATLAS blas
library and parallel molpro.  I've tried scaling back the
optimizations for GA and for molpro (I used -O2) for both, but
I still get the same error.  The molpro tests run without any
problems.
Thanks,
Benj FitzPatrick
University of Chicago

------------------------------------------------------
Contracted 2-electron integrals neglected if value below     
1.0E-13
 AO integral compression algorithm  1   Integral accuracy    
 1.0E-13

     112923.509 MB (compressed) written to integral file ( 39.4%)

     Node minimum: 112923.509 MB, node maximum: 112923.509 MB
 

 NUMBER OF SORTED TWO-ELECTRON INTEGRALS:34393089324.    
BUFFER LENGTH:  32768
 NUMBER OF SEGMENTS: 196  SEGMENT LENGTH:  175996941     
RECORD LENGTH: 524288

 Memory used in sort:     176.55 MW

 ERROR WRITING       524288 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:: 0
  0: ARMCI aborting 0 (0).
tmp =
/home/kclau/pdir//ab/molprop-2002_10-goto/aux/molprop_2002_10_i8_tcgmsg.exe.p
 Creating: host=haplo.uchicago.edu, user=kclau,
          
file=/ab/molprop-2002_10-goto/aux/molprop_2002_10_i8_tcgmsg.exe,
port=45684