Re: [Freeon-users] Testing FreeON 1.0.8 on Centos 6.3

[Nicolas Bock]

On Fri, Jan 03, 2014 at 06:35:39PM +0000, Noel O'Boyle wrote:

> 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?
> 

Could you also send us

Validate/SinglePoint/Restricted/regressionTest.log

and the two output files

Validate/SingePoint/Restricted/*.out

Thanks,

nick

> 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
>

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