Charm++ parallel programming system

[Eric Bohm <ebohm AT illinois.edu>]

As signalled by the s prefix in the error message, NAMD uses the single precision version of the FFTW library.  You can download binaries from the ks website, or build fftw to use single precision and type prefixes, either will satisfy this requirement.

On 12/30/2013 09:55 AM, Phil Miller wrote:

As the compiler error says, it can't find the FFTW library. Either you didn't build that correctly, or you built it at a path that doesn't match what you told NAMD when you configured it. This is neither a Charm++ problem nor a NAMD problem. Whatever troubleshooting you did or help you got for your Tcl installation, follow the same steps here [1].

Also, since I've noticed 'Charmm++' repeatedly in your messages, please note that Charm++ (one 'm') is the parallel runtime system software that NAMD uses and which is the focus of this list, while CHARMM (two m's, no ++) is a molecular dynamics force field that NAMD implements. They have no relation to each other, and the similarity of naming is unfortunate.


[1] Again, per http://www.ks.uiuc.edu/Research/namd/bugreport.html "If you do not understand the errors generated by your compiler, queueing system, ssh, or mpiexec you should seek assistance from a local expert familiar with your setup"

On Mon, Dec 30, 2013 at 5:31 AM, Vidhya Sankar <vidhyasankar7928 AT yahoo.com> wrote:

Respected Phil miller sir, 

                          Thank you for you kind reply

I Built Charmm++ successfully by the following commands  as you Instruct

./build charm++ net-linux --with-production

Also  i Typed by the following command

./config Linux-g++  --charm-arch net-linux

then I have got following error when i compile by make command

/usr/bin/ld: cannot find -lsrfftw
/usr/bin/ld: cannot find -lsfftw

charmc exiting...
rm -f moduleinit7046.C moduleinit7046.o
make: *** [namd2] Error 1
 

I Humbly Request your Suggestion to solve this Problem

With Regards S.vidhyasnka
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