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| 2:28:37 PM PDT - Wed, Aug 15th 2012 |
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Quote:Gary Aug 15th 11:48 amIt looks like the version of libXfixes.so.3 that is being used might be 32-bit instead of 64-bit as needed. I assume you installed the "m64" version of the ECCE binary distribution rather than the "m32" version? Do a "file /usr/lib/i386-linux-gnu/libXfixes.so*" to check if this library is 32-bit. On my Unbuntu 11 system it uses /usr/lib/x86_64-linux-gnu/libXfixes.so.3 which is definitely 64-bit and works fine. So, maybe you have 32-bit compatibility libraries installed (my Ubuntu system has no files in /usr/lib/i386-linux-gun) and for some reason (maybe your $LD_LIBRARY_PATH?) it is finding the wrong version? Or you installed the the m32 version of ECCE instead of m64?
Only other thing I can think of is the ECCE has some compatibility issues with Ubuntu 12, which I've never tested with as it is newer than the current ECCE release. In that case you will need to build ECCE from source code rather than using a binary distribution. That is not an overly difficult process given the documentation and build script provided.
Best regards,
Gary Black, ECCE project lead
Hi Gary,
Thanks for your reply. But for some reason version 6.3 64-bit worked on Ubuntu 12.04. You are right: I have an older laptop with Ubuntu 11.10, I installed ECCE6.2 on it and worked like a charm. But when I upgraded to 12.04 it stopped working. Version 6.3 on the other hand worked. Seems that version 6.3 is Ubuntu 12.04 friendly.
I have another question that is totally unrelated to installation of ECCE. I am sorry if the question is stupid, I am totally new to ECCE. ECCE seems to have many great options, however for me, since I run all NWChem on my personal desktop. I really only need the following.
1) Generate the NWChem file and save it, and then manually run the NWChem job from the terminal
2) Load the output file in order to view optimized geometries and/or MOs
I couldn't figure out how to do this, nor was I able to find the proper documentation. Can you tell me how or where I can read about this. Thanks!
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