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Topic Title: Chem3D and GAMESS
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Created On: 7/4/2017 10:16 AM
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 7/4/2017 10:16 AM
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Dan

Posts: 2
Joined: 9/24/2009

I have just installed both 64-bit GAMESS (gamess.2016-pgi-linux-mkl.exe) and ChemDraw 16.0.1.4(77) on a new 64-bit computer running Windows 10. When I try to use the Chem3D interface to GAMESS, I get the error message:

error: Cannot run GAMESS. It seems the GAMESS config file "C:\Users\Public\gamess-64\parameters.gms" isn't configured with the current installation path "C:\Users\Public\gamess-64". Please edit this file manually and change the setting(s) : SCRATCHDIR to refer to the current installation path.

I changed the parameters.gms file to make SCRATCHDIR refer to c:\users\public\gamess-64\. The error message was unchanged.

What should I do?

 7/20/2017 12:31 AM
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PKI Ortega

Posts: 58
Joined: 10/13/2011

Chem3D 16.0.x (as well as 15.x) supports GAMESS 2013 (64 bit).

It appears you have installed GAMESS 2016. Please contact GAMESS support and get GAMESS 2013 (64 bit) installer, if you have downloaded GAMESS 2016 installer.

There are few known issues with NMR computations with the default GAMESS installer- “2013-GAMESS-PGI-LINUX-Blas.msi”.

Workaround: Install “2013-GAMESS-PGI-FAST.msi” installer from the GAMESS download page



-------------------------

- PKI Support

 1/28/2018 1:39 PM
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Theo

Posts: 1
Joined: 3/26/2009

I had the same problem. I modified the parameters.gms file to indicate "SCRATCHDIR=C:\Users\Public\gamess-64\tmp" and added a folder named "tmp" in the gamess-64 folder and that fixed the error. I do not know why this worked, but my previous installation of gamess had a tmp folder and it worked with Chem3D as well. Hope that helps!

GAMESSDIR=C:\Users\Public\gamess-64
AUXDATADIR=C:\Users\Public\gamess-64\auxdata
RESTARTDIR=C:\Users\Public\gamess-64\restart
SCRATCHDIR=C:\Users\Public\gamess-64\tmp

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