Re: NAMD installation on Xeon64 cluster

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Sun Sep 17 2006 - 01:03:04 CDT

Hi,

The first error message says it's not finding charm++.h in
/home/uakgun/SOFTWARE/MODIFIED_NAMD_2_6b1/NAMD_2.6_Source/charm-5.9/net-linux-amd64/include
so I would conclude that your charm build didn't completely succeed.

Check to see if that directory and file are really missing, and if so try
rebuilding Charm++ and paying attention to any error messages.

-Jim

On Fri, 15 Sep 2006, Ugur Akgun wrote:

> Hi I am trying to install NAMD from source to Xeon 64 cluster, I did these
> steps, and got the error about missing charm++.h, I'd appreciate any help.
>
> - I got amd64 versions of fftw and tcl
> - I built the charm with this command;
> ./build charm++ net-linux-amd64 --no-build-shared -O -DCMK_OPTIMIZE=1
>
> -Then I tried on NAMD; but it did not work;
> [uakgun_at_frontend NAMD_2.6_Source]$ ./config tcl fftw Linux-amd64-g++
> [uakgun_at_frontend NAMD_2.6_Source]$ cd Linux-amd64-g++/
> [uakgun_at_frontend NAMD_2.6_Source]$ make
> mkdir inc
> mkdir obj
> g++
> -I/home/uakgun/SOFTWARE/MODIFIED_NAMD_2_6b1/NAMD_2.6_Source/charm-5.9/net-linux-amd64/include
> -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -I
> /home/uakgun/SOFTWARE/MODIFIED_NAMD_2_6b1/tcl/linux-amd64/include
> -I/home/uakgun/tcl/include -DNAMD_TCL
> -I/home/uakgun/SOFTWARE/MODIFIED_NAMD_2_6b1/f
> ftw/linux-amd64/include -I/home/uakgun/fftw/include -DNAMD_FFTW
> -DNAMD_VERSION=\"2.6\" -DNAMD_PLATFORM=\"Linux-amd64\" -O3 -m64
> -fexpensive-optimiz
> ations -ffast-math -o obj/common.o -c src/common.C
> src/common.C:22:21: charm++.h: No such file or directory
> src/common.C: In function `void NAMD_quit(const char*)':
> src/common.C:67: error: `CkPrintf' undeclared (first use this function)
> src/common.C:67: error: (Each undeclared identifier is reported only once for
> each function it appears in.)
> src/common.C:69: error: `CmiAbort' undeclared (first use this function)
> src/common.C: In function `void NAMD_die(const char*)':
> src/common.C:80: error: `CkPrintf' undeclared (first use this function)
> src/common.C:82: error: `CmiAbort' undeclared (first use this function)
> src/common.C: In function `void NAMD_err(const char*)':
> src/common.C:95: error: `CkPrintf' undeclared (first use this function)
> src/common.C:97: error: `CmiAbort' undeclared (first use this function)
> src/common.C: In function `void NAMD_bug(const char*)':
> src/common.C:110: error: `CkPrintf' undeclared (first use this function)
> src/common.C:112: error: `CmiAbort' undeclared (first use this function)
> make: *** [obj/common.o] Error 1 "
>

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