Re: namd/charm infiniband build

From: Jimmy Tang (jtang_at_tchpc.tcd.ie)
Date: Tue Nov 07 2006 - 10:17:37 CST

Hi Rene,

On Mon, Oct 30, 2006 at 02:57:30PM -0600, Rene Salmon wrote:
> I am trying to build the latest cvs charm on and MVAPICH based infiniband
> cluster. I followed the instructions at the wiki:
>
> http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdOnInfiniBand
>
> After making the mpiCC to mpicxx changes in:
>
> charm/src/arch/mpi-linux-amd64/conv-mach.sh
>
> I get the following error message any ideas?
>
> ./build charm++ mpi-linux-amd64 --no-build-shared -O -DCMK_OPTIMIZE=1
>
> src/arch
> mpi-linux-amd64
> mpi
> Copying src/scripts/Makefile to mpi-linux-amd64/tmp
> Soft-linking over bin
> Soft-linking over lib
> Soft-linking over lib_so
> Soft-linking over include
> Soft-linking over tmp
> Generating mpi-linux-amd64/tmp/conv-mach-pre.sh
> Performing '/usr/bin/gmake charm++ OPTS= -O -DCMK_OPTIMIZE=1' in
> mpi-linux-amd6
> 4/tmp
> /usr/bin/gmake headerlinks
> gmake[1]: Entering directory `/usr/local/
> src/NAMD/NAMD_2.6_Source/charm/mpi-linux-amd64/tmp'
> ./configure
> checking machine name... mpi-linux-amd64
> checking "C++ compiler as"... "mpicxx -m64 -fPIC -O -DCMK_OPTIMIZE=1
> -nobs"
> checking "whether C++ compiler works"... "ok"
> checking "C++ linker as"... "mpicxx -m64 -fPIC "
> checking "whether linker works"... "no"
> Cannot link C++ programs with mpicxx -m64 -fPIC
> (check your charm++ version)
> gmake[1]: *** [conv-autoconfig.h] Error 1
> gmake[1]: Leaving directory `/usr/local/s
> rc/NAMD/NAMD_2.6_Source/charm/mpi-linux-amd64/tmp'
> gmake: *** [headers] Error 2
> -------------------------------------------------
> Charm++ NOT BUILT. Either cd into mpi-linux-amd64/tmp and try
> to resolve the problems yourself, visit
> http://charm.cs.uiuc.edu/
> for more information. Otherwise, email the developers at ppl_at_cs.uiuc.edu
>
---end quoted text---

I've been experimenting with building charm (from the cvs tarball) with
mvapich-0.9.8 using the pathscale 2.2.1 compilers. this particular
combination seems to work sucessfully (it works for 5.9 that ships with
namd 2.6)

i based my configs on the ones that pathscale have on their website
http://www.pathscale.com/building_code/namd.html

which compilers are you using?

anyway below is a copy and paste of the conv-mach.h and conv-mach.sh
files, it may be of use to you

conv-mach.h
-----------
/*****************************************************************************
 * $Source: SCCS/s.conv-mach.h $
 * $Author: jane_at_bauxite.internal.keyresearch.com $
 * $Date: 05/06/02 15:47:04-07:00 $
 * $Revision: 1.1 $
 *****************************************************************************/

#ifndef _CONV_MACH_H
#define _CONV_MACH_H

#define CMK_CONVERSE_MPI 1

#define CMK_DEFAULT_MAIN_USES_COMMON_CODE 1

#define CMK_GETPAGESIZE_AVAILABLE 1

#define CMK_IS_HETERO 0

#define CMK_MALLOC_USE_GNU_MALLOC 1
#define CMK_MALLOC_USE_OS_BUILTIN 0

#define CMK_MEMORY_PAGESIZE 8192
#define CMK_MEMORY_PROTECTABLE 0

#define CMK_NODE_QUEUE_AVAILABLE 0

#define CMK_SHARED_VARS_EXEMPLAR 0
#define CMK_SHARED_VARS_UNAVAILABLE 1
#define CMK_SHARED_VARS_UNIPROCESSOR 0
#define CMK_SHARED_VARS_SUN_THREADS 0

#define CMK_SIGNAL_NOT_NEEDED 0
#define CMK_SIGNAL_USE_SIGACTION 0
#define CMK_SIGNAL_USE_SIGACTION_WITH_RESTART 1

#define CMK_SYNCHRONIZE_ON_TCP_CLOSE 0

#define CMK_THREADS_REQUIRE_NO_CPV 0

#define CMK_TIMER_USE_GETRUSAGE 1
#define CMK_TIMER_USE_SPECIAL 0
#define CMK_TIMER_USE_TIMES 0

#define CMK_TYPEDEF_INT2 short
#define CMK_TYPEDEF_INT4 int
#define CMK_TYPEDEF_INT8 long
#define CMK_TYPEDEF_UINT2 unsigned short
#define CMK_TYPEDEF_UINT4 unsigned int
#define CMK_TYPEDEF_UINT8 unsigned long
#define CMK_TYPEDEF_FLOAT4 float
#define CMK_TYPEDEF_FLOAT8 double

#define CMK_WHEN_PROCESSOR_IDLE_BUSYWAIT 1
#define CMK_WHEN_PROCESSOR_IDLE_USLEEP 0

#define CMK_WEB_MODE 1
#define CMK_DEBUG_MODE 0

#define CMK_LBDB_ON 1

#endif

conv-mach.sh
------------
CMK_CPP_CHARM='/lib/cpp -P'
CMK_CPP_C='pathcc -m64 -E -I/usr/support/mvapich--pathscale/include'
CMK_CC='pathcc -O2 -m64 -fPIC -I/usr/support/mvapich--pathscale/include'
CMK_CXX='pathCC -m64 -fPIC -I/usr/support/mvapich--pathscale/include'
CMK_CXXPP='pathCC -m64 -E -I/usr/support/mvapich--pathscale/include'
CMK_CF77='pathf90 -m64 -fPIC -I/usr/support/mvapich--pathscale/include'
CMK_CF90='pathf90 -m64 -fPIC -I/usr/support/mvapich--pathscale/include'
CMK_RANLIB='ranlib'
CMK_LIBS='-L/usr/lib -lmtl_common -lvapi -lmosal -lmpga -lpthread -I/usr/support/mvapich--pathscale/include -L/usr/support/mvapich--pathscale/lib -lckqt -lmpich -L/opt/pathscale/lib/2.2.1 -lmv -lmpath -lpmpich'
CMK_LD_LIBRARY_PATH="-Wl,-rpath,$CHARMLIBSO/ "
CMK_SEQ_LIBS=''
CMK_SEQ_CC='pathcc -O1 -Wno-deprecated -m64 -fPIC '
CMK_SEQ_LD='pathcc -m64 -fPIC '
CMK_SEQ_CXX='pathCC -Wno-deprecated -m64 -fPIC'
CMK_SEQ_LDXX='pathCC -m64 -fPIC '
CMK_F90LIBS=''
CMK_MOD_NAME_ALLCAPS=1
CMK_MOD_EXT="mod"
CMK_F90_USE_MODDIR=1
CMK_F90_MODINC="-p "
CMK_QT='generic64'

Jimmy

-- 
Jimmy Tang
Trinity Centre for High Performance Computing,
Lloyd Building, Trinity College Dublin, Dublin 2, Ireland.
http://www.tchpc.tcd.ie/ | http://www.tchpc.tcd.ie/~jtang

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