Re: compiling NAMD

From: Ken Sale (
Date: Wed Apr 07 2004 - 19:23:07 CDT

I am trying to compile NAMD on a cluster under MPI. I downloaded, compiled
and tested charm++ and had no problems. I downloaded the precompiled tcl,
fftw and plugins. I then edited Make.charmm, Linux-i686.fftw,
All-Unix.plugins and Linux-i686.tcl files as outlined in notes. Then I ran
./config tcl fftw plugins Linux-i686-g++, switched to that directory and ran
make. I am getting the following output indicating that charm++.h and
converse.h do not exist. I've checked the include directory in .rootdir and
they are there.


-I/home/fajer/NAMD_2.5_Source/charm/net-linux/include -DCMK_OPTIMIZE=1 -Isrc
-Iinc -I/home/fajer/vmd-plugins/LINUX
-I/home/fajer/vmd-plugins/LINUX/molfile -I/home/fajer/vmd-plugins/include
-I/home/fajer/plugins/LINUX -I/home/fajer/plugins/LINUX/molfile
-I/home/fajer/plugins/include -DNAMD_PLUGINS
-I/home/fajer/linux-redhat9/include -I/home/fajer/tcl-linux/include
-DNAMD_TCL -DUSE_NON_CONST -I/home/fajer/linux-redhat9//include
-I/home/fajer/fftw-linux/include -DNAMD_FFTW -DNAMD_VERSION=\"2.5\"
-DNAMD_PLATFORM=\"Linux-i686\" -g -o obj/common.o -c src/common.C

src/common.C:11:21: charm++.h: No such file or directory

src/common.C:12:22: converse.h: No such file or directory

In file included from /usr/include/c++/3.2.2/backward/strstream:51,

                 from src/InfoStream.h:20,

                 from src/common.C:23:

/usr/include/c++/3.2.2/backward/backward_warning.h:32:2: warning: #warning
This file includes at least one deprecated or antiquated header. Please
consider using one of the 32 headers found in section of the C++
standard. Examples include substituting the <X> header for the <X.h> header
for C++ includes, or <sstream> instead of the deprecated header
<strstream.h>. To disable this warning use -Wno-deprecated.

src/common.C: In function `void NAMD_quit(int)':

src/common.C:73: `CmiAbort' undeclared (first use this function)

src/common.C:73: (Each undeclared identifier is reported only once for each

   function it appears in.)

src/common.C: In function `void NAMD_die(const char*)':

src/common.C:84: `CkPrintf' undeclared (first use this function)

make: *** [obj/common.o] Error 1


Thanks for any help,



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