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Re: [charm] install NAMD in GPU


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  • From: Evan Ramos <evan AT hpccharm.com>
  • To: charm AT cs.illinois.edu
  • Subject: Re: [charm] install NAMD in GPU
  • Date: Fri, 20 Jul 2018 11:25:16 -0500
  • Authentication-results: illinois.edu; spf=none smtp.mailfrom=evan AT hpccharm.com; dkim=pass header.d=hpccharm-com.20150623.gappssmtp.com header.s=20150623; dmarc=none

Hi Yonglan,

It looks like the Intel compiler is not installed on your system. Try removing the "icc" part of the build command to use the compiler Charm++ determines to be the default, which is GCC for verbs-linux-x86_64.

Regards,
Evan A. Ramos
Software Engineer
Charmworks, Inc.

On Thu, Jul 19, 2018 at 7:03 PM, Yonglan Liu <yl117 AT zips.uakron.edu> wrote:
Hi,

I am Yonglan Liu, Ph.D student in the University of AKron. I am trying to install NAMD2.12 GPU and download the NAMD_2.11_Source.tar.gz and follow the instruction on https://www.nvidia.com/en-us/data-center/gpu-accelerated-applications/namd/.  When I build charm++ with the code of ./build charm++ verbs-linux-x86_64 icc smp --with-production. It shows the error as follows:

Selected Compiler: icc
Selected Options:  smp
Creating dir: verbs-linux-x86_64-smp-icc
Creating dir: verbs-linux-x86_64-smp-icc/tmp
Copying src/scripts/Makefile to verbs-linux-x86_64-smp-icc/tmp
Soft-linking over bin
Soft-linking over lib
Soft-linking over lib_so
Soft-linking over include
Soft-linking over tmp
Generating verbs-linux-x86_64-smp-icc/tmp/conv-mach-pre.sh
Generating verbs-linux-x86_64-smp-icc/tmp/conv-mach-opt.h, conv-mach-opt.sh
Performing 'make basics OPTS=-optimize -production QUIET= CONFIG_OPTS=--disable-controlpoint --disable-tracing --disable-tracing-commthread --disable-charmdebug --disable-replay --disable-error-checking --disable-stats ' in verbs-linux-x86_64-smp-icc/tmp
pwd
/home/yonglan/NAMD_2.11_Source/charm-6.7.0/verbs-linux-x86_64-smp-icc/tmp
find . -type l -exec rm {} \;
rm -rf QuickThreads
rm -rf libs
rm -rf ../bin ; mkdir ../bin
if case `cat .vdir` in *win32*) true;; *win64*) true;; *) false;; esac; then \
cp -f ../../src/arch/`cat .vdir | awk -F- '{print $2}'`/unix2nt* ../bin; \
cp -f ../../src/arch/win32/createlink.exe ../bin; \
fi
rm -rf ../lib ; mkdir ../lib
rm -rf ../lib_so ; mkdir ../lib_so; touch ../lib_so/.charmso
rm -rf ../examples
rm -rf ../tests
rm -rf ../doc ; ln -s ../doc ../doc
../../src/scripts/gatherflat ../../src/scripts .
./gatherflat ../../src/conv-core        .
./gatherflat ../../src/conv-ldb         .
./gatherflat ../../src/conv-ccs         .
./gatherflat ../../src/conv-perf .
./gatherflat ../../src/ck-core          .
./gatherflat ../../src/ck-perf          .
./gatherflat ../../src/ck-tune          .
./gatherflat ../../src/ck-ldb           .
./gatherflat ../../src/ck-cp            .
./gatherflat ../../src/langs/simplemsg  .
./gatherflat ../../src/langs/pvmc       .
./gatherflat ../../src/langs/bluegene   .
./gatherflat ../../src/langs/f90charm   .
./gatherflat ../../src/xlatcpm          .
./gathertree ../../src/QuickThreads     QuickThreads
./gathertree ../../src/libs             libs
./gathertree ../../src/arch/util        .
./gathertree ../../src/util             .
./gathertree ../../src/langs            langs
./gathertree ../../src/langs/jade       langs/jade
./gathertree ../../src/arch/common      .
./gathertree ../../src/arch/`cat .gdir` .
test -f ../../src/arch/`cat .gdir`/gdir_link && cat ../../src/arch/`cat .gdir`/gdir_link > .gdir.new && ./gathertree ../../src/arch/`cat .gdir.new`      . || true
./gatherflat ../../src/arch/`cat .vdir` .
./gathertree ../../src/../examples             ../examples
./gathertree ../../src/../tests                ../tests
rm -f ../bin/dep.pl ; cp dep.pl ../bin/
chmod +x charmc
./system_ln  ../tmp/charmc ../bin/
rm -rf ../include ; mkdir ../include
./system_ln  ../tmp/conv-*.*h ../include
./system_ln  ../tmp/cc-*.*h ../include
./system_ln  ../tmp/conv-mach-opt.sh ../include
if [ -x ./special.sh ] ; then SRCBASE=../../src ./special.sh ; fi
./special.sh: 1: ../include/cc-icc.sh: icc: not found
ICC compiler not found!
make: *** [dirs+sources] Error 1
  
Could you please give me some advice. 

Best, 

Yonglan




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