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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Received on Tue Feb 21 2012 - 11:00:02 PST
