Intel C/C++ compiler Version 8 for compiling NAMD on IA64

From: Jerry Ebalunode (jebalunode_at_UH.EDU)
Date: Wed Dec 31 2003 - 12:57:53 CST

Hi,
I would like to know if Charm++ and then NAMD can be built using the new intel
C++ compiler version 8.0 on an IA64 arch. I already tried this on the charm++
source code that was provided along with the namd ver2.5., with no succes in
compling charm++ for mpi-linux-ia64.

On Wednesday 31 December 2003 11:59 am, Gengbin Zheng wrote:
> Oops, forgot to mention, you need to recompile Linux version of NAMD from
> scratch also. The pre-compiled version is not compatiable with the latest
> CVS version due to my recent changes in structure layout. Also, the
> pre-compiled version is built with Intel C++ compiler which I have not
> tested the compatibility with Win32 VC++ yet. So I would suggest going
> with gcc on Linux before I tested it with Intel C++.
>
> Since I don't know which verison of Linux you are running, I don't know
> how to make pre-compiled binary for you. But compiling for Linux is
> fairely easy, check out:
> http://www.ks.uiuc.edu/Research/namd/development.html
> Please download both Charm++ and NAMD source from the two different CVS
> servers.
>
> I myself rarely use tcl and plugins features (being a mostly Charm++
> developer). Based on my limited knowledge, tcl is used to enable
> scripting features (so you can write tcl scripts in config file), and
> plugins tools are from VMD's Plugins to enable trajectory analysis. The
> NAMD user manual should have more detailed information.
>
> Gengbin
>
> On Wed, 31 Dec 2003, Gadi Oron wrote:
> > On Wed, 2003-12-31 at 02:05, Gengbin Zheng wrote:
> > > Hi,
> > >
> > > Please find the NAMD binary compiled with Windows VC++ 6.0 at:
> > > http://www.ks.uiuc.edu/~gzheng/NAMD_Win32-i686.zip
> >
> > Thank you, but still no luck...
> > I manage to start NAMD alone on a Win2K node and on Linux node,
> > so probably my nodelist is Ok. But together I get either:
> >
> > Info: SUMMARY OF PARAMETERS:
> > Info: 180 BONDS
> > Info: 442 ANGLES
> > Info: 534 DIHEDRAL
> > Info: 50 IMPROPER
> > Info: 91 VDW
> > Info: 0 VDW_PAIRS
> > Charmrun: error on request socket--
> > Error on socket recv!
> >
> > when the Linux box is first in the nodelist and:
> >
> > Charmrun> node programs all connected
> > ------------- Processor 1 Exiting: Caught Signal ------------
> > Signal: segmentation violation
> > Suggestion: Try running with '++debug', or linking with '-memory
> > paranoid'.
> > Fatal error on PE 1> segmentation violation
> >
> > when the order is inverted.
> >
> > I am using charmd compiled from the last source and NAMD 2.5 from
> > the pre-compiled binaries for linux and your Windows executables.
> >
> > Any idea?
> >
> > Best regards.
> >
> > P.S. It is not really explained what "plugins" and "tcl" libraries are
> > needed for... Could you give me a hint on that?
> > --
> > ================= Gadi ORON, PhD -o- Proteologics ======================
> > ========== gadi/at/proteologics.com ========== +972 8 9475666 ==========
> > The questions remain the same. The answers are eternally variable.

-- 
Cheers,
Jerry Ebalunode
Graduate Research Assistant
RM 402F Houston Science Center
Phone: 713-743-8367
Dept. of Biology and Biochemistry
University of Houston.
4800 Calhoun Road
Houston, TX 77204

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