Re: installation of namd without tcl and fftw

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Tue May 11 2010 - 03:41:00 CDT

The linker says your Tcl static library is "incompatible", which
probably means that it is compiled for the wrong architecture (32 bit
instead of 64 bit?).

Jerome

On 11 May 2010 07:40, ipsita basu <ibasu788_at_gmail.com> wrote:
> Thanks for your reply. I can understand now. Actually I installed namd
> in all the linux machine in our lab with tcl and fftw,just following
> the notes.txt distributed with namd library except in a machine whose
> configuration is:
> Linux localhost.localdomain 2.6.9-55.EL #1 SMP Fri Apr 20 16:33:09 EDT
> 2007 ppc64 ppc64 ppc64 GNU/Linux
> Here I tried NAMD_2.7b1,NAMD2.7b2 etc. But at the last step when I
> enter the " make " command, it gives error. This output I attach
> herewith.
> But if I tried it without compiling tcl and fftw, then installation is done.
> So can you tell me how solve the installation problem?
>
> Thank you.
> On 5/10/10, Jérôme Hénin <jhenin_at_ifr88.cnrs-mrs.fr> wrote:
>> Hi Ipsita,
>>
>>  Not having Tcl support will limit what you can do with the config
>>  script. You can set only one parameter per line (without semicolon at
>>  the end of the line). The error message also tells you that some
>>  commands (e.g. "run") are not available. You can only request one
>>  minimization, OR one MD run, with a single temperature, pressure
>>  (etc.) setting. So yes, life is easier with Tcl enabled.
>>
>>  Jerome
>>
>>  PS: note to anyone with CVS commit rights who happens to be reading -
>>  can you please commit the following:
>>
>>  RCS file: /namd/cvsroot/namd2/src/ParseOptions.C,v
>>  retrieving revision 1.1022
>>  diff -r1.1022 ParseOptions.C
>>  841c841
>>  <                   << "configuation file but were not needed" << "\n" << endi;
>>  ---
>>  >                   << "configuration file but were not needed" << "\n" << endi;
>>
>>
>>
>>
>>
>>  On 10 May 2010 13:11, ipsita basu <ibasu788_at_gmail.com> wrote:
>>  > Hi,
>>  >    I have installed NAMD_2.7b2_Source for a linux ppc 64 machine
>>  > without TCL and FFTW as I am not able to install with TCL and FFTW.
>>  > Now when I am going to run a simulation script in that machine, it is
>>  > aborted giving error like this:
>>  > ERROR:   in the configuration file are not allowed
>>  > ERROR: Could not understand units ';' in option 'LangevinPistonTarget
>>  > = 1.01325 ;
>>  > ERROR: Multiple definitions of 'fixedatoms'
>>  > ERROR:   in the configuration file are not allowed
>>  > Warning: The following variables were set in the
>>  > Warning: configuation file but were not needed
>>  > Warning:    langevinTemp
>>  > Warning:    langevinDamping
>>  > Warning:    langevinHydrogen
>>  > ERROR: The following variables were set in the
>>  > ERROR: configuration file but are NOT VALID
>>  > ERROR:    run
>>  > ERROR:    output
>>  > ERROR:    minimize
>>  > FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
>>  > [0] Stack Traceback:
>>  >  [0] .CmiAbort+0x90  [0x1062222c]
>>  >  [1] ._Z8NAMD_diePKc+0x64  [0x1011c320]
>>  >  [2] ._ZN13SimParameters22initialize_config_dataEP10ConfigListRPc+0xec
>>  >  [0x1051af58]
>>  >  [3] ._ZN9NamdState14configListInitEP10ConfigList+0x24c  [0x10493174]
>>  >  [4] ._ZN9ScriptTcl3runEPc+0x104  [0x104fc184]
>>  > Whereas the same script is running well in other linux machine where
>>  > namd is installed with TCL and FFTW.
>>  > I would like to know is there anyone to help me.
>>  >
>>  >
>>  >                   Thanking You
>>  >
>>  >                      Ipsita
>>  > --
>>  > Ipsita Basu
>>  > Research Fellow
>>  > c/o : Dr. Chaitali Mukhopadhyay
>>  > Rajabazar Science College
>>  > 92 APC Road
>>  > Kolkata - 700009
>>  >
>>  >
>>
>
>
> --
> Ipsita Basu
> Research Fellow
> c/o : Dr. Chaitali Mukhopadhyay
> Rajabazar Science College
> 92 APC Road
> Kolkata - 700009
>

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