Re: Compiling NAMD with mpicc myrinet

From: Jerry Ebalunode (jebalunode_at_UH.EDU)
Date: Thu Mar 10 2005 - 15:45:54 CST

Just modify your "conv-mach.sh"
it is located in the charm/src/arch/mpi-linux directory

initially it looks like this
-----------------------------------------
CMK_CPP_CHARM='/lib/cpp -P'
CMK_CPP_C='mpicc -E'
CMK_CC='mpicc '
CMK_CXX='mpiCC '
CMK_CXXPP='mpiCC -E '
CMK_CF77='f77'
CMK_CF90='f90'
CMK_RANLIB='ranlib'
CMK_LIBS='-lckqt -lmpich '
CMK_LD_LIBRARY_PATH="-Wl,-rpath,$CHARMLIBSO/"
CMK_NATIVE_LIBS=''
CMK_NATIVE_CC='gcc '
CMK_NATIVE_LD='gcc'
CMK_NATIVE_CXX='g++ '
CMK_NATIVE_LDXX='g++'
CMK_NATIVE_CC='gcc '
CMK_NATIVE_CXX='g++ '
CMK_F90LIBS='-L/usr/absoft/lib -L/opt/absoft/lib -lf90math -lfio -lU77
-lf77math '
CMK_MOD_NAME_ALLCAPS=1
CMK_MOD_EXT="mod"
CMK_F90_USE_MODDIR=1
CMK_F90_MODINC="-p"
--------------------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------------------
modify it to
-------------------------------------------------------------------------------------
CMK_CPP_CHARM='/lib/cpp -P'
CMK_CPP_C='/path/to/mpicc -E'
CMK_CC='/path/to/mpicc '
CMK_CXX='/path/to/mpiCC '
CMK_CXXPP='/path/to/mpiCC -E '
CMK_CF77='/path/to/mpif77'
CMK_CF90='/path/to/mpif90'
CMK_RANLIB='ranlib'
CMK_LIBS='-lckqt -lmpich '
CMK_LD_LIBRARY_PATH="-Wl,-rpath,$CHARMLIBSO/"
CMK_NATIVE_LIBS=''
CMK_NATIVE_CC='/path/to/mpicc '
CMK_NATIVE_LD='/path/to/mpicc '
CMK_NATIVE_CXX='/path/to/mpiCC '
CMK_NATIVE_LDXX='/path/to/mpiCC '
CMK_NATIVE_CC='/path/to/mpicc '
CMK_NATIVE_CXX='/path/to/mpiCC '
CMK_F90LIBS='-L/usr/absoft/lib -L/opt/absoft/lib -lf90math -lfio -lU77
-lf77math '
CMK_MOD_NAME_ALLCAPS=1
CMK_MOD_EXT="mod"
CMK_F90_USE_MODDIR=1
CMK_F90_MODINC="-p"

------------------------------------------------------------------
note that /path/to/ signifies full path to the mpicc, mpiCC or mpif77/90 files

and build your charm this
/build charm++ mpi-linux

On Thursday 10 March 2005 12:19 pm, Edward Patrick Obrien wrote:
> Hi all,
>
> QUESTION:
> My question is how do I get the build command to use the mpicc compiler,
> which doesn't appear to be supported?
>
> BACKGROUND:
> I'm trying to figure out how to compile namd with the following compiler
>
> mpich-1.2.5..12_04_01_2004/bin/mpicc
>
> so that I can compile namd for a myrinet linux cluster. We have version 2
> of the gm library. After downloading NAMD_2.5_Source.tgz, and downloading
> charm-5.8 this is what I tried:
>
> ./build charm++ mpi-linux $CC gm2
>
> where I setenv CC /v/apps/mpich-1.2.5..12_04_01_2004/bin/mpicc
>
> The result is:
> Error> option: ./build is not supported in this version!
> Supported compilers: pgcc cxx gcc3 gcc icc iccstatic kcc pgcc xlc64 xlc
>
> We set the environement variable CC to the path because it appears this
> variable is used in one of the make files to reference the compiler.
>
> Any comments/suggestions would be appreciated,
> Thanks,
> Ed

-- 
Jerry Ebalunode
Ph.D. Candidate
RM 402F Houston Science Center
Phone: 713-743-8367
Dept. of Biology and Biochemistry
University of Houston
4800 Calhoun Road
Houston, TX 77204
"No trees were killed in the posting of this message. However a large number 
of electrons were terribly inconvenienced..." 
Marcos Topete

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