[molpro-user] 64-bit test jobs fail

[Wheeler, Dr M.D.]

Dear All,
Running the test jobs on a linux 64-bit version of molpro results in three errors:

Running test job so.test
Received signal 11 Segmentation violation
0:0:termxy:: 0
Last System Error Message from Task 0:: No such file or directory
  0: ARMCI aborting 0 (0).
system error message: No such file or directory
  1: interrupt(1)
WaitAll: No children or error in wait?
**** PROBLEMS WITH TEST JOB so.test
so.test: ERRORS DETECTED: non-zero return code ... inspect output
**** For further information, look in the output file testjobs/so.errout
**** in the directory
make[1]: [so.out] Error 1 (ignored)

Running test job tl_so_i.test
Received signal 11 Segmentation violation
0:0:termxy:: 0
Last System Error Message from Task 0:: No such file or directory
  0: ARMCI aborting 0 (0).
system error message: No such file or directory
  1: interrupt(1)
WaitAll: No children or error in wait?
**** PROBLEMS WITH TEST JOB tl_so_i.test
tl_so_i.test: ERRORS DETECTED: non-zero return code ... inspect output
**** For further information, look in the output file testjobs/tl_so_i.errout
**** in the directory
make[1]: [tl_so_i.out] Error 1 (ignored)

Running test job tlbr_mp2_dft_so.test
**** PROBLEMS WITH TEST JOB tlbr_mp2_dft_so.test
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for mp2-energy=2.61695732D-09.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for mp2-gradient=0.0.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for ks-energy=1.90121341D-09.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for ks-gradient=0.0.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for hf-energy(spd)=1.96899919D-09.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for gradsoala=2.37910262D-08.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for gradsocad=2.41798961D-08.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for hf-energy(spdfgh)=5.22788923D-10.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for multi-energy(singlet)=7.72195108D-09.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for multi-energy(triplet)=5.59737146D-10.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for mrci-energy=1.19584342D-09.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for ci-energy=1.66733116D-09.
 ERRORS DETECTED in tlbr_mp2_dft_so.test. Max error for esplit=0.31717278.
**** For further information, look in the output file testjobs/tlbr_mp2_dft_so.errout
**** in the directory
make[1]: [tlbr_mp2_dft_so.out] Error 1 (ignored)


The common factor appears to be the so in the calculation.

Any ideas?
My system details:

#uname -a
Linux marvin.chem.le.ac.uk 2.4.21-20.EL #1 Sat Sep 18 18:37:36 PDT 2004 x86_64 x86_64 x86_64 GNU/Linux

#pgf90 -V test.F
pgf90 5.2-4
Copyright 1989-2000, The Portland Group, Inc.  All Rights Reserved.
Copyright 2000-2004, STMicroelectronics, Inc.  All Rights Reserved.
PGF90/any Linux/x86-64 5.2-4
Copyright 1989-2000, The Portland Group, Inc.  All Rights Reserved.
Copyright 2000-2004, STMicroelectronics, Inc.  All Rights Reserved.
PGF90-F-0002-Unable to open source input file: test.F
PGF90/any Linux/x86-64 5.2-4: compilation aborted

GA toolkit 3.3.1 compiled as per instructions on http://www.molpro.net/supported/opteron.php

BLAS is Linux_HAMMER64SSE2_2 with updated LAPACK compiled using g77

Martyn

----------------------------------------------
Dr. Martyn D. Wheeler
Department of Chemistry
University of Leicester
University Road
Leicester, LE1 7RH, UK.
Tel (office): +44 (0)116 252 3985
Tel (lab):    +44 (0)116 252 2115
Fax:          +44 (0)116 252 3789
Email:        martyn.wheeler at le.ac.uk
http://www.le.ac.uk/chemistry/staff/mdw10.html