AMBER Archive (2003)

Subject: Machine file available for ICC compiler ?

From: Teletchéa Stéphane (steletch_at_biomedicale.univ-paris5.fr)
Date: Fri Jul 04 2003 - 12:08:30 CDT

I've downloaded the ICC and IFC compiler to address running time
performance on our cluster.
I've been able to recompile the mpich-1.2.5 with icc without problem,
but when i try to recompile amber, i have to following problems :

I'm using amber 6, but i found the Machine file Machine.icc_mpi from
amber 7 and tried to use it.

Here is were the intel compilers are /
[root_at_master0 src]# !export
export PATH=$PATH:/opt/intel/compiler70/ia32/bin/

Here is for mpich
/usr/local/Programmes/Amber6/amber6_mpich1.2.5/src/

After make, i get
make[2]: Entre dans le répertoire
`/usr/local/Programmes/Amber6/amber6_mpich1.2.5/src/lib'
../Compile L1 -P mexit.f
cat mexit.f | /lib/cpp -traditional -P -DLinux -DMEM_ALLOC -DMPI >
_mexit_.f
:25: mpif.h: No such file or directory
make[2]: *** [mexit.o] Erreur 1
make[2]: Quitte le répertoire
`/usr/local/Programmes/Amber6/amber6_mpich1.2.5/src/lib'
make[1]: *** [libobj] Erreur 1
make[1]: Quitte le répertoire
`/usr/local/Programmes/Amber6/amber6_mpich1.2.5/src/prep'
make: *** [install] Erreur 2
But i have this file here :
/usr/local/mpich-1.2.5/include/mpif.h

I've tried to mix Machineicc.g77 with these variables, but it didn't
help (this is what i've added in MAHINE file) :

setenv MPICH_HOME /usr/local/mpich-1.2.5/
setenv MPICH_INCLUDE $MPICH_HOME/include
setenv MPICH_LIBDIR $MPICH_HOME/lib
setenv MPICH_LIB mpich

# LOADER/LINKER:
setenv LOAD "ifc "
setenv LOADLIB " -lPEPCF90 -lmpich -L$MPICH_LIBDIR -I.$MPICH_INCLUDE"

Any hint ?

Thanks alot in advance,
Stef 

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