Re: NAMD/VMD installation on Linux Clusters with InfiniBand

From: Anilkumar Naik (anilkumar_at_tifr.res.in)
Date: Sun May 26 2013 - 00:46:47 CDT

Dear Dr.Axel,

Thanks for help.fftw error was solved.

tcl8.5 is installed at namd directory. struck with below error. Pl suggest.
====
xlc -q64 -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS
-I/shared/namd/NAMD_2.9_Source/tcl/include -DNAMD_TCL -O3
-DNAMD_VERSION=\"2.9\" -DNAMD_PLATFORM=\"Linux-PPC-MPI-ppc64\"
-DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE
-DUSE_NODEPATCHMGR -o sortreplicas obj/sortreplicas.o obj/dcdplugin.o
obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -lm
xlC -q64 -D_NO_MALLOC_H
-I.rootdir/./charm-6.4.0/mpi-linux-ppc-mpicxx/include -DCMK_OPTIMIZE=1
-Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN
-I/shared/namd/NAMD_2.9_Source/tcl/include -DNAMD_TCL
-I/shared/namd/NAMD_2.9_Source/fftw/include -DNAMD_FFTW
-DNAMD_VERSION=\"2.9\" -DNAMD_PLATFORM=\"Linux-PPC-MPI-ppc64\"
-DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE
-DUSE_NODEPATCHMGR -O3 -qnohot -DCMK_OPTIMIZE -o obj/ComputeMoa.o -c
src/ComputeMoa.C
/usr/bin/ld: cannot find -lnamdtcl8.3
gmake: *** [psfgen] Error 1
gmake: *** Waiting for unfinished jobs....
    1500-036: (I) The NOSTRICT option (default at OPT(3)) has the potential
to alter the semantics of a program. Please refer to documentation on the
STRICT/NOSTRICT option for more information.
    1500-036: (I) The NOSTRICT option (default at OPT(3)) has the potential
to alter the semantics of a program. Please refer to documentation on the
STRICT/NOSTRICT option for more information.
===

Regards,
Anilkumar

On Fri, May 24, 2013 at 7:25 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Fri, May 24, 2013 at 3:25 PM, Anilkumar Naik <anilkumar_at_tifr.res.in>
> wrote:
> > Dear All,
> >
> > Need your help to understand below errors.
>
> you should try this first:
>
> http://lmgtfy.com/?q=sfftw.h+namd
>
> axel.
>
>
> > ====================
> > "src/SimParameters.C", line 42.10: 1540-0836 (S) The #include file
> <sfftw.h>
> > is not found.
> > "src/SimParameters.C", line 43.10: 1540-0836 (S) The #include file
> > <srfftw.h> is not found.
> > gmake: *** [obj/SimParameters.o] Error 1
> > gmake: *** Waiting for unfinished jobs....
> > 1500-036: (I) The NOSTRICT option (default at OPT(3)) has the
> potential
> > to alter the semantics of a program. Please refer to documentation on
> the
> > STRICT/NOSTRICT option for more information.
> > ==============
> >
> > Regards,
> > anilkumar
> >
> >
> > On Fri, May 24, 2013 at 3:25 PM, Anilkumar Naik <anilkumar_at_tifr.res.in>
> > wrote:
> >>
> >> Hi,
> >>
> >> Having following errors while installing "NAMD_2.9_Source" from source--047d7bd75744d1aef904dd988ee9--

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