AMBER Archive (2002)

Subject: Re: compilation of sander on Alpha/Linux clusters

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Fri May 24 2002 - 16:41:00 CDT

You seem to be trying to build an mpi version of sander on
alphas. We have never done this.

jim

On Fri, 24 May 2002 zhou7454_at_duq.edu wrote:

> Hi,
>
> When I compile sander on Alpha/linux7.0 clusters, I get following error on
> link:
>
> SYSLIB=`../sysdir lib` ; ../Compile LOAD -o sander \
> sander.o cshf.o noecalc.o noeread.o caldis.o calrate.o dinten.o drates.o
> indexn.o ......
> pack/lapack.a ../blas/blas.a ../lib/nxtsec.o
> /home/zhou/amber7/src/Machines/standard/sys.a -lcxml -l
> m -L/mpi/build/LINUX/ch_p4/lib -lmpich
>
> /mpi/build/LINUX/ch_p4/lib/libmpich.a(farg.o): In function `mpir_iargc__':
> farg.f(.text+0x18): undefined reference to `xargc'
> collect2: ld returned 1 exit status
> fort: Severe: Failed while trying to link.
> make[1]: *** [sander] Error 1
>
> The Machine file as follwoing:
>
> setenv MPICH_INCLUDE $MPICH_HOME/include
> setenv MPICH_LIBDIR $MPICH_HOME/lib
>
> setenv MACHINE "DEC Alpha linux"
> setenv MACH AXP_OSF
> setenv MACHINEFLAGS " -DHAS_FTN_ERFC -DMPI"
> setenv VENDOR_BLAS yes
> setenv VENDOR_LAPACK yes
> setenv CC "ccc "
> setenv LOADCC "ccc "
> setenv CPP "/lib/cpp -traditional -I$MPICH_INCLUDE"
> setenv SYSDIR Machines/standard
>
> setenv LOADLIB " -lcxml -lm -L$MPICH_LIBDIR -lmpich"
>
> setenv LOAD "fort -convert big_endian "
> setenv L0 "fort -arch host -extend_source -convert big_endian -c -O0 -tune
> host -fast "
> setenv L1 "fort -arch host -extend_source -convert big_endian -c -O -tune
> host -fast "
> setenv L2 "fort -arch host -extend_source -convert big_endian -c -O -tune
> host -fast "
> setenv L3 "fort -arch host -extend_source -convert big_endian -c -O5 -tune
> host -fast -unroll 3 "
> # ranlib, if it exists
> setenv RANLIB ranlib
>
> Does someone can tell me what was wrong in the Machine file and what should
> I do?
>
> thanks a lot.
>
>

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James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue
University of California
San Francisco, CA 94143-0446
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