AMBER Archive (2009)

Subject: Re: [AMBER] amber9 installation problem in SMP IA64

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Feb 10 2009 - 06:41:29 CST

On Tue, Feb 10, 2009, Vijay Manickam Achari wrote:
>
> Then, I used the same method above to install amber9 in SMP machine (IA64, LAM MPI,intel mkl,GNU compilers with options below but failed:
> ../configure -lam -<there_is_no_IA64_platform_option> -verbose -mmtsb -bintraj gfortran
>
>
> The errors are as below:
>
> netcdf.f90:(.text+0x48072): undefined reference to `nf_get_varm_double_'

I discussed this sort of problem in my previous post in this thread.

> Even I have tried without -bintraj, but still error at configure stage as below:
>
> ptmlxsmp:/usr/local/amber9/src # export MKL_LIBRARY=/opt/intel/mkl/10.0.010/lib/64
> ptmlxsmp:/usr/local/amber9/src # export MKL_LIB=/opt/intel/mkl/10.0.010/lib/64 ptmlxsmp:/usr/local/amber9/src

Amber's configure doesn't use the above variables.

> # ./configure -lam -mmtsb -verbose gfortran AMBERHOME is set to
> /usr/local/amber9

> Setting up Amber configuration file for architecture: gfortran
> Using parallel communications library: lam
> MPI_HOME is set to /usr/local/lam/
> MKL_HOME is set to /opt/intel/mkl/

This is needs to be /opt/intel/mkl/10.0.010

> MKL libraries were not found !
> The configuration file, config.h, was successfully created.

Not finding the MKL librararies is not an error in Amber9, but probably
should be.

Finally, it's not clear that Amber9 has ever been tested on ia64 with
gfortran. So, be prepared for some detective work.

...dac

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