AMBER Archive (2005)

Subject: AMBER: Re: AMBER Test Error (Follow Up)

From: tpatko (tpatko_at_csulb.edu)
Date: Sun Apr 24 2005 - 19:55:18 CDT

My apologies. I applied the current bugfixall and it corrected the
problem. The 32-bit binaries work fine. I still cannot compile for my
dual Opteron with PGI as a native 64-bit application (neither serial nor
parallel). I have both 5.2-4 and 6.0-1 PGI compiler suites installed.
Has anyone else had success?

Regards,

Thomas

tpatko wrote:

> TO AMBER USERS:
>
> As I have had great difficulty compiling AMBER8 with PGI on my dual
> Opteron machine running RHEL 4.0 AS. So get things up and going I
> have compiled AMBER8 with Intel 32-bit compilers fortran and c++
> compilers on a different RHEL 4.0 AS 32-bit machine with the Intel MKL
> libraries installed. I get the following error message during the
> serial test. All of the preceding test passed until this failure.
> Any ideas?
>
> cd qmmm/divcon; ./Run.crambin
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> sander.QMMM 080DF6DA Unknown Unknown Unknown
> sander.QMMM 080DDBC9 Unknown Unknown Unknown
> sander.QMMM 0808BCAD Unknown Unknown Unknown
> sander.QMMM 08069386 Unknown Unknown Unknown
> sander.QMMM 08065C02 Unknown Unknown Unknown
> sander.QMMM 08048268 Unknown Unknown Unknown
> sander.QMMM 082AEDD0 Unknown Unknown Unknown
> sander.QMMM 08048121 Unknown Unknown Unknown
> ./Run.crambin: Program error
> make: *** [test.sander.QMMM] Error 1
>
> You assistance is appreciated.
>
> Regards,
>
> Thomas Patko
>
> Graduate Student
> Department of Chemistry & Biochemistry
> California State University, Long Beach
> Dr. Marco Lopez Research Group
>
>

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