Regarding running nwchem

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Hi everybody,

I am a noob to nwchem.
After downloading nwchem (tar file), I simply extracted it to my desktop and tried to run nwchem from terminal using the following command:
nwchem C2.nw> C2.out or
./nwchem <C2.nw> & C2.out and other combinations.
But I am getting the message "bash: cannot execute binary file"
I am using Redhat 5.4.
Can anyone help me out of this.

With regards and thanks
Deepak

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Hello Deepak1032. What is your OS bitness? I think it may happen if the bitness is 32.

Try uname -m and file commands and you will get something like:
$ uname -m
x86_64

compiled version:
$ file ~Scientific/build-nwchem-6.0/bin/LINUX64/nwchem
build-nwchem-6.0/bin/LINUX64/nwchem: ELF 64-bit LSB executable, x86-64, version 1 (SYSV), dynamically linked (uses shared libs), for GNU/Linux 2.6.18, not stripped

or for binary version (NWChem Linux (Redhat 5.5, gcc/gfortran 4.1.2) binary, tar-ed and bzip2-ed compressed):
$ file ~Scientific/build-nwchem-6.0-binary-redhat-5-5-gcc-4-1-2/bin/nwchem
/ud/home/igor/Scientific/build-nwchem-6.0-binary-redhat-5-5-gcc-4-1-2/bin/nwchem: ELF 64-bit LSB executable, x86-64, version 1 (SYSV), statically linked, for GNU/Linux 2.6.9, not stripped

With best wishes.

Shmakov I. A.
Edited On 8:46:57 AM PST - Fri, Jan 7th 2011 by Shmakov I. A.

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Nwchem - Running
Dear Mr. Shmakov,

Thanks for the reply.
I am using 32 bit OS.
Is there any Nwchem binary working on 32 bit OS?
Is it that there is some other way to install the Nwchem binary?

I hereby request you to kindly let me know with regard to the above.

Thanks and regards
Deepak

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Quote:Deepak1032 Jan 7th 5:21 pm
Dear Mr. Shmakov,
Thanks for the reply.
I am using 32 bit OS.
Is there any Nwchem binary working on 32 bit OS?


As far as i know NWChem binary have only for 64 bitess version.

Quote:Deepak1032 Jan 7th 5:21 pm

Is it that there is some other way to install the Nwchem binary?

I hereby request you to kindly let me know with regard to the above.

Thanks and regards
Deepak


If you will run 32 bitness version on 64 bit OS, you need only instal some library. For 64to32 i don't know.

Maybe you will trying compiling NWChem from source?

With best wishes.

Shmakov I. A.


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