Re: NAMD + TMD on Abe

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Fri Jul 25 2008 - 12:58:08 CDT

Hi Peter,

Thanks for the executable. I tried running namd2 and got the error
message:

namd2: error while loading shared libraries: libtcl8.3.so: cannot open
shared object file: No such file or directory

I temporarily solved it by setting:

setenv LD_LIBRARY_PATH /u/ac/petefred/tcl/lib/

Is there a better way of doing it?

Thanks,

      Gianluca

On Fri, 25 Jul 2008, Peter Freddolino wrote:

> Hi Gianluca,
> I have a fairly recent build in
> /u/ac/petefred/namd-cvs/namd2/Linux-amd64-MPI-icc-sse3.20080709 that should
> have the correct TMD behavior.
> Best,
> Peter
>
> Gianluca Interlandi wrote:
>> Dear NAMD users and developers,
>>
>> I would like to run TMD simulations with NAMD on NCSA Abe supercomputer.
>> > From the mailing list I read that the TMD has a bug in the official
>> release of the MPI version of NAMD 2.6 and that the CVS version should be
>> downloaded and compiled. Has anyone compiled a CVS release of NAMD on Abe
>> in the past months? If yes, I would appreciate if I could use it.
>>
>> Kind regards,
>>
>> Gianluca Interlandi
>>
>>
>> -----------------------------------------------------
>> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
>> +1 (206) 685 4435
>> +1 (206) 714 4303
>> http://biocroma.unizh.ch/gianluca/
>>
>> Postdoc at the Department of Bioengineering
>> at the University of Washington, Seattle WA U.S.A.
>> -----------------------------------------------------
>
>

-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     +1 (206) 714 4303
                     http://biocroma.unizh.ch/gianluca/

Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
-----------------------------------------------------

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