[gmx-users] Re: installation problem on Compaq Alpha ev68 with Tru64 unix OS (Erik Lindahl) (David)

[Wei Fu]

Hi, David,

     Thanks for your reply.

     I installed gromacs3.2.0beta on Tru64.  I use tcsh shell. 

     grompp and gmxdump work well. but most of commands do not work.

disco:   GenCap: i 0 ctx 60-60-60 Entries 1 Nodes 0-0 Railmask 1
         Segmentation fault (core dumped)

ffscan:   Segmentation fault (core dumped)

g_anaeig: bad substitution

g_analyze: bad substitution

g_angle: bad substitution

a lot of commands like g_chi, g_bundle, g_covar, g_confrms, g_bond: bad substitution.

      I don't find mpirun in the /usr/bin directory. How can I install it?  Should I contact supercomputer center to install it?

I am looking forward to your reply. Thank you very much!

Wei

 ************************************************************
  Wei Fu (Linda)
  Postdoctoral Research Associate
  Department of Biology and Biochemistry 
  University of Houston
  4800 Calhoun Rd. HSC #402C
  Houston, TX 77204-5001   USA
  Phone:713-743-8355(o)  713-795-9270(h) 
  Fax:713-743-8351 
  Email: fuwei at adrik.bchs.uh.edu
  http://adrik.bchs.uh.edu/~fuwei/
  http://uh.edu
**************************************************************

>Message: 7
>Subject: Re: [gmx-users] Re: installation problem on Compaq Alpha ev68 with
>	Tru64 unix OS (Erik Lindahl)
>From: David <spoel at xray.bmc.uu.se>
>To: gmx-users at gromacs.org
>Organization: 
>Date: 16 Dec 2003 08:33:10 +0100
>Reply-To: gmx-users at gromacs.org
>
>On Mon, 2003-12-15 at 22:50, Wei Fu wrote:
>> Hi, Erik,
>> 
>>     Thanks for your reply.
>> 
>>    I have solved the "dos2unix" problem, but the new problem were found as follows when I execute make command.  
>> 
>> 
>> *******************************************************************************************
>> No suffix list.
>> No suffix list.
>> No suffix list.
>> cc: Info: index.c, line 259: In the initializer for chains[1], "pnoh" does not h
>> ave a constant address, but occurs in a context that requires an address constan
>> t.  This is an extension of the language. (addrconstext)
>>   const char **chains[] = { NULL,pnoh,calpha,bb,mc,mcb,mch,mch,mch,pnodum };
>> ---------------------------------^
>
>Which version of gromacs is this? 3.2.0beta should have this bit fixed.
>
>
>> 
>> And after "make install", some commands do not work.
>> 
>> For example:
>> 
>> g_dipoles: bad substitution
>
>g_dipoles is a shell script, we are working on this.
>
>> 
>> mdrun: 
>>       GenCap: i 0 ctx 60-60-60 Entries 1 Nodes 0-0 Railmask 1
>>       Segmentation fault (core dumped)
>
>Can you be more specific? i.e. should this have been started with
>mpirun? Does grompp work? gmxdump?
>
>
>-- 
>David.
>________________________________________________________________________
>David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
>Dept. of Cell and Molecular Biology, Uppsala University.
>Husargatan 3, Box 596,  	75124 Uppsala, Sweden
>phone:	46 18 471 4205		fax: 46 18 511 755
>spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>