[Freeon-users] Testing FreeON 1.0.8 on Centos 6.3

[Noel O'Boyle]

Hi there,

I've just been trying out FreeON as part of my QM Speed Test (see
http://baoilleach.blogspot.co.uk/2013/10/qm-up-for-testing-quantum-chemistry.html).

Unfortunately, "make check" returns an error:
============================================================================
Testsuite summary for FreeON 1.0.8
============================================================================
# TOTAL: 2
# PASS:  0
# SKIP:  0
# XFAIL: 0
# FAIL:  0
# XPASS: 0
# ERROR: 2
============================================================================
See Validate/SinglePoint/Restricted/test-suite.log
Please report to address@hidden
============================================================================

The contents of test-suite.log are at the end of the email. I'd
appreciate if you could help me resolve this. Do you need any more
information about my system?

FreeON was compiled with gcc 4.4.6 with "enable-optimizations" and a
specified tmp directory (and system libraries for HDF5, etc.).

Regards,
   Noel

==================================================================
   FreeON 1.0.8: Validate/SinglePoint/Restricted/test-suite.log
==================================================================

# TOTAL: 2
# PASS:  0
# SKIP:  0
# XFAIL: 0
# FAIL:  0
# XPASS: 0
# ERROR: 2

.. contents:: :depth: 2

ERROR: C
========

[regressionTest] reference file: ./C.reference
[regressionTest] scratch directory:
/home/noel/Tools/Quantum/FreeON/freeon-1.0.8/../tmp/FreeON-scratch-C_9811-kbNkYe/
[regressionTest] log file:
/home/noel/Tools/Quantum/FreeON/freeon-1.0.8/Validate/SinglePoint/Restricted/regressionTest.log
[regressionTest] found 0 value errors, 9 matched entries, 0 unmatched
entries, i.e found tag in output but did not have reference for it, 1
entries in reference that were missing from the output
[regressionTest] FreeON successfully terminated

ERROR: HeH+
===========

At line 86 of file ProcessControl.F90
Fortran runtime error: End of record
[regressionTest] reference file: ./HeH+.reference
[regressionTest] scratch directory:
/home/noel/Tools/Quantum/FreeON/freeon-1.0.8/../tmp/FreeON-scratch-HeH+_11050-TCTBdE/
[regressionTest] log file:
/home/noel/Tools/Quantum/FreeON/freeon-1.0.8/Validate/SinglePoint/Restricted/regressionTest.log
[regressionTest] found 0 value errors, 0 matched entries, 0 unmatched
entries, i.e found tag in output but did not have reference for it, 13
entries in reference that were missing from the output
[regressionTest] FreeON did not successfully terminate