AMBER Archive (2007)

Subject: Re: AMBER: compilation error in SGI Altix 4700 with Intel Fortran 10.1.008 and IMKL 10.0.1.014

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Thu Dec 06 2007 - 09:49:34 CST

Hi,
> I am trying to compile amber9 in our SGI Altix 4700 using Intel Fortran 10.1.008 and IMKL 10.0.1.014. 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
attached.
> I have no idea whether this error is due to any bugs in Amber or IMKL.
> Can anyone help me? 　　　　　
...I try to:
entering
./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
/scr/orgon/svrci/ICC90/intel/mkl/10.0.011/lib/em64t/libmkl_lapack.a
/scr/orgon/svrci/ICC90/intel/mkl/10.0.011/lib/em64t/libmkl_ipf.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
Andreas

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