This is expected. I think this message is suppressed now, but
AT15_Amber11.py used to print the message:
NOTE: Because PBSA has changed since Amber 11 was released, some
tests are known to fail and others are known to quit in error. These
can be safely ignored.
Tests that error: Tests in $AMBERHOME/test/sander_pbsa_frc
Run.argasp.min Run.dadt.min Run.dgdc.min
Run.lysasp.min Run.polyALA.min Run.polyAT.min
Run.argasp.min Run.dadt.min Run.dgdc.min
Run.lysasp.min Run.polyALA.min Run.polyAT.min
Run.argasp.min Run.dadt.min Run.dgdc.min
Run.lysasp.min Run.polyALA.min Run.polyAT.min
Tests that produce possible FAILUREs:
cd sander_pbsa_ipb2 && ./Run.110D.min
cd sander_pbsa_lpb && ./Run.lsolver.min (only some of them fail here)
cd sander_pbsa_tsr && ./Run.tsrb.min
cd sander_pbsa_decres && ./Run.pbsa_decres
mm_pbsa.pl tests 02, 03, and 05
HTH,
Jason
On Tue, Feb 21, 2012 at 1:32 PM, Ray Luo, Ph.D. <ray.luo.uci.edu> wrote:
> I'm forwarding your email to Qin to take a look ...
>
> Ray
>
> ---------- Forwarded message ----------
> From: Yubo Fan <pengpengtadie.gmail.com>
> Date: Tue, Feb 21, 2012 at 8:26 AM
> Subject: [AMBER] errors on testing pbsa
> To: AMBER Mailing List <amber.ambermd.org>
>
>
> Hello,
>
> I compiled amber 11 using intel compiler 11 and openmpi. But some of
> the test jobs failed with error messages:
>
> cd sander_pbsa_frc && ./test
> dbf_0.argasp
> forrtl: severe (19): invalid reference to variable in NAMELIST input,
> unit 5, file /opt/amber11/test/sander_pbsa_frc/dbf_0/argasp/min.in,
> line 10, position 29
> Image PC Routine Line
> Source
> libintlc.so.5 00002B0E122AC51D Unknown Unknown Unknown
> libintlc.so.5 00002B0E122AB025 Unknown Unknown Unknown
> libifcore.so.5 00002B0E11D7C21C Unknown Unknown Unknown
> libifcore.so.5 00002B0E11CECF95 Unknown Unknown Unknown
> libifcore.so.5 00002B0E11CEC72F Unknown Unknown Unknown
> libifcore.so.5 00002B0E11D3061A Unknown Unknown Unknown
> sander 00000000007AFA9F Unknown Unknown Unknown
> sander 00000000004BBB2D Unknown Unknown Unknown
> sander 0000000000498D12 Unknown Unknown Unknown
> sander 0000000000498B8C Unknown Unknown Unknown
> sander 000000000040C4AC Unknown Unknown Unknown
> libc.so.6 0000003D2FA1D994 Unknown Unknown Unknown
> sander 000000000040C3B9 Unknown Unknown Unknown
> ./Run.argasp.min: Program error
> dbf_0.dadt
>
> Is there anything I need to do for pbsa calculations? Other test jobs
> are basically okey.
>
> Thanks,
> Yubo
>
> _______________________________________________
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Feb 21 2012 - 15:00:03 PST
