[gmx-users] GROMACS 3.3.1 installation on SGI (Irix)

[Akshay Patny]

Dear All

 

This is Akshay Patny from The University of Mississippi.

 

I am trying to install GROMACS 3.3.1 on SGI ORIGIN 350 with 8 parallel 700
MHz MIPS R16000 (IP35) processors.

 

As I do not have access to root, I am trying to install everything including
the FFTW and GROMACS in my home directory which is:

 

/mnt1/usr/akshayp/

 

I used the following source code from the website 


gromacs-3.3.1.tar.gz
<ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.1.tar.gz> 

2006-04-06

1af34a99950813ca7cf893253c447cd1 

 

I think I already have ANSI C compiler so I installed FFTW 3.1 before
installing GROMACS as mentioned. I installed FFTW in both single as well as
double precision mode as advised and it went through.

 

I installed FFTW in /mnt1/usr/akshayp/fftw-3.1.1

 

After that, I tried installing the GROMACS as given

 

In installed it in /mnt1/usr/akshayp/gromacs-3.3.1 which was the directory
created after I untared the source code file.

First step:

./configure

 

The output of this command is given in Output_Gromacs_Configure.txt file.

 

Second step:

make >&l og

 

The output of this command is given in Output_Gromacs_make_log.txt file.

 

Third step:

make install

 

The output of this command is given in Output_Gromacs_make_install.txt file.

 

The second and third steps gave some errors. The last few lines including
error for are as follows:

____________________________________________________________________________
___

 

cc-3316 cc: ERROR File = gmx_fft_fftw3.c, Line = 186

The expression must be a pointer to a complete object type.

 

      pc += 8; 

      ^

 

cc-3316 cc: ERROR File = gmx_fft_fftw3.c, Line = 190

  The expression must be a pointer to a complete object type.

 

      pc += 8; 

      ^

 

2 errors detected in the compilation of "gmx_fft_fftw3.c".

*** Error code 1 (bu21)

*** Error code 1 (bu21)

*** Error code 1 (bu21)

____________________________________________________________________________
___

 

Can somebody guide me how can I fix this error? Also, please tell me as I
have installed GROMACS in a local directory, what else I need to change
(such as in the cshrc) and how? A little detailed answer will be of great
help, as I am new to the UNIX installation area.

 

Please let me know in case you need any additional information from my side.

 

Looking forward to hear from you

 

Kind Regards

Akshay

 

Akshay Patny

Graduate Research Assistant
Faser Hall 417, Department of Medicinal Chemistry

Research Institute of Pharmaceutical Sciences
University of Mississippi
University, MS 38677
E-mail: akshay17 at olemiss.edu
Tel: 662-915-1286 (office); Web: www.olemiss.edu 

 

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