(unknown charset) Re: AMBER: compilation error in SGI Altix 4700 with Intel Fortran 10.1.008 and IMKL

From: (unknown charset) Andreas Svrcek-Seiler <svrci.tbi.univie.ac.at>
Date: Thu, 6 Dec 2007 16:49:34 +0100 (CET)

> I am trying to compile amber9 in our SGI Altix 4700 using Intel Fortran 10.1.008 and IMKL As suggested by Intel, I used libmkl_intel_lp64.a, libmkl_intel_thread.a
> and libmkl_core.a, instead of the legacy libmkl_lapack.a and
> libmkl_ipf.a.
> It failed when linking the libraries. The config file and make.log are
> I have no idea whether this error is due to any bugs in Amber or IMKL.
> Can anyone help me?      
...I try to:
./configure sgi_altix
on a linux(!) em64t machine with ifort (and changing the lib-paths in config.h)
"make" runs through and sander is linked as follows:
<...> ../lib/nxtsec.o ../lib/sys.a
-L/scr/orgon/svrci/ICC90/intel/mkl/10.0.011/lib/em64t -lguide -lpthread -ldl

...so why try other libraries? There's definitely no bug.
I guess you've either missed at least one library or
link them in the wrong order (order can matter here).

good luck

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Received on Sun Dec 09 2007 - 06:07:27 PST
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