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Re: [charm] Compiling NAMD mpi problem


Chronological Thread 
  • From: Phil Miller <mille121 AT illinois.edu>
  • To: Nguyen Cao Thang <caothangckt AT gmail.com>
  • Cc: Charm Mailing List <charm AT cs.illinois.edu>
  • Subject: Re: [charm] Compiling NAMD mpi problem
  • Date: Mon, 8 May 2017 11:13:34 -0500

Charm++ 6.7.1 requires a compiler at least as capable as g++ version 4.4 for the partial C++11 support it provides. This was released many years ago, and was incorporated in Linux operating system distributions shortly thereafter.

CentOS version 5.8 was released over 5 years ago, and with its official End-of-Life, it ceased receiving even the most critical updates earlier this year. I recommend installing a more modern operating system version.

If that's not feasible, you could install a newer compiler version and use that to build Charm++ and NAMD. As an added bonus, you'll get better performance from improved optimizations.

On Fri, Apr 28, 2017 at 7:36 AM, Nguyen Cao Thang <caothangckt AT gmail.com> wrote:
Dear Developers, 
I try to compile NAMD 2.12 on a cluster (Centos 5.8) 
But I have met obstacle soon in building Charm++, the system stop me with some error like below

""
Copying src/scripts/Makefile to mpi-linux-x86_64/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-x86_64/tmp/conv-mach-pre.sh
Performing '/usr/bin/gmake basics OPTS=-optimize -production QUIET= CONFIG_OPTS=--disable-controlpoint --disable-tracing --disable-tracing-commthread --disable-charmdebug --disable-replay --disable-error-checking --disable-stats ' in mpi-linux-x86_64/tmp
/usr/bin/gmake charmxi
gmake[1]: Entering directory `/root/Softs/NAMD_2.12_Source/charm-6.7.1/mpi-linux-x86_64/tmp'
./configure --disable-controlpoint --disable-tracing --disable-tracing-commthread --disable-charmdebug --disable-replay --disable-error-checking --disable-stats
Error checking is disabled
Statistics collection is disabled
Charm tracing is disabled
Charm tracing communication thread is disabled
CharmDebug is disabled
Charm record/replay is disabled
CCS is enabled
Charm control point is disabled
Charm LB user data is disabled
Setting load balancing timer type as 'double'
checking machine name... mpi-linux-x86_64
checking "cp command as"... cp -p
checking "C++ compiler as"... "mpicxx   -DCMK_GFORTRAN    "
checking "whether C++ compiler works"... "ok"
checking "C++ linker as"... "mpicxx   -DCMK_GFORTRAN    "
checking "whether linker works"... "ok"
checking "Native C++ compiler as"... "g++ -m64 -fPIC "
checking "Sequential C++ compiler as"... "mpicxx   -DCMK_GFORTRAN"
checking "whether compiler accept -fno-stack-protector"... "ok"
checking "whether C++ compiler supports variadic templates without flags"... "no"
checking "whether C++ compiler supports variadic templates with '-std=c++0x'"... "no"
checking "whether C++ compiler supports variadic templates with '-qlanglvl=extended0x'"... "no"
checking "whether C++ compiler supports variadic templates with '--c++11'"... "no"
checking "whether C++ compiler supports variadic templates with '-h std=c++11'"... "no"
Charm++ requires some C++11 support, but doesn't know the flag to enable it
*** Please find detailed output in charmconfig.out ***
gmake[1]: *** [conv-autoconfig.h] Error 1
gmake[1]: Leaving directory `/root/Softs/NAMD_2.12_Source/charm-6.7.1/mpi-linux-x86_64/tmp'
gmake: *** [headers] Error 2
-------------------------------------------------
Charm++ NOT BUILT. Either cd into mpi-linux-x86_64/tmp and try
to resolve the problems yourself, visit
for more information. Otherwise, email the developers at charm AT cs.illinois.edu  ""
​I am not familiar with such kind of situation.​
​I wish you could give me some advise to solve this.

I am looking for your advise​.
​Thank you so much​



Cao Thang 

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