Re: recompiling NAMD 2.6 from sources on CentOS-3 x86_64: Charm++ failing test

From: Tru Huynh (tru_at_pasteur.fr)
Date: Tue Nov 21 2006 - 08:41:12 CST

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On Mon, Nov 13, 2006 at 05:16:46PM +0100, Tru Huynh wrote:
> Hi,
>
> I am trying to make namd-2.6 run on our CentOS-3 x86_64 machines.
...
replied from Eric Bohm (c/o ppl_at_cs.uiuc.edu):

<quote>
I think you will have better luck using net-linux-amd64 or mpi-linux-amd64
</quote>

pretty obvious when one thinks about it...

final installation notes:
<pre>
./build charm++ net-linux-amd64 --no-shared -O -DCMK_OPTIMIZE=1
setenv CONV_RSH ssh
( cd net-linux-amd64/tests/charm++/megatest && make pgm && make test)
vim -o Make.charm arch/Linux-amd64.fftw arch/Linux-amd64.tcl
./config tcl fftw Linux-amd64-g++
cd Linux-amd64-g++ && make
./charmrun ++local +p2 ./namd2 src/alanin
</pre>

repeat with:
net-linux-amd64 tcp
net-linux-amd64 icc
net-linux-amd64 smp
...

just for the record, if someone wants to use LAM-MPI instead of MPICH
./build charm++ mpi-linux-amd64 lam --no-shared -O -DCMK_OPTIMIZE=1
setenv CONV_RSH ssh
( cd mpi-linux-amd64-lam/tests/charm++/megatest/ && make pgm && make test )
-> edit include/conv-mach.sh and remove the "-lmpich" from CMK_SYSLIBS

Thanks,

Tru

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