[molpro-user] Problem running tuning.com with Opteron Myrinet

[Scott Yockel]

Molpro Users,

I've been able to successfully compile and run the quicktest on my 
Molpro2002.6 opteron build with the following setup:
Linux Kernel 2.4.22-1.2199.nptlsmp, PGI 5.2, MPICH-GM 1.2.5..10, GM-2.1.3

However when trying to run "molpro tuning.com" on the head node in 
single proc. it fails after about an hour with this error:
/usr/local/mpich/1.2.5..10/gcc/x86_64/bin/mpirun.ch_gm -np 1 
/CHEM/molpro2002.6/bin/molprop_2002_6_i8_amd64_mpi.exe
PGFIO/stdio: No such file or directory
PGFIO-F-/OPEN/unit=1/error code returned by host stdio - 2.
 File name = ./bin/molpro.rc
 In source file iow.f, at line number 198
status=0

Any help on this matter would be appreciated.

This is the tail part of the output from tuning.out where it died:
 Starting benchmark for BLAS routines with   ncache= 12288  mxmblk=    
64  mxmbln=    64  nspars= 2  nroll=2
 
 N= 120 L= 120 M= 120  NREP2=  61867  NREP3=    516  ITRA= 1  ITRB= 1
         MXMA:               CPU= 0.73    (2442.871 MFLOP)
         DGEMM:              CPU= 0.85    (2097.995 MFLOP)
         MXMAS:              CPU= 0.83    (2148.549 MFLOP)
         MXVA:               CPU= 1.92    ( 928.005 MFLOP)
         DGEMV:              CPU= 0.84    (2121.154 MFLOP)
 N= 120 L= 120 M= 120  NREP2=  61867  NREP3=    516  ITRA= 1  ITRB= 2
         MXMA:               CPU= 0.77    (2315.969 MFLOP)
         DGEMM:              CPU= 0.86    (2073.600 MFLOP)
 N= 120 L= 120 M= 120  NREP2=  61867  NREP3=    516  ITRA= 2  ITRB= 1
         MXMA:               CPU= 0.73    (2442.871 MFLOP)
         DGEMM:              CPU= 1.88    ( 948.562 MFLOP)
         MXVA:               CPU= 1.74    (1024.006 MFLOP)
         DGEMV:              CPU= 1.91    ( 932.864 MFLOP)
 N= 120 L= 120 M= 120  NREP2=  61867  NREP3=    516  ITRA= 2  ITRB= 2
         MXMA:               CPU= 0.77    (2315.969 MFLOP)
         DGEMM:              CPU= 3.08    ( 578.992 MFLOP)

-- 
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Scott Yockel
University of North Texas Department of Chemistry
Office: 940-565-2948, Room 262C
http://www.chem.unt.edu/WilsonGroup/scotty.htm
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