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Pete Smith
Unregistered guest
Posted on Thursday, August 30, 2012 - 4:38 pm:   

Does WebMO work with WinGAMESS 2011 (GAMESS VERSION = 1 OCT 2010 (R3))? That is the version that downloads from the WinGAMESS.current.msi link. All of my jobs seem to fail and I get the same error in the output file. I don't understand what it is telling me at the end of the file... Any help would be appreciated. I have attached an output file.
text/plainWinGAMESS output
WinGAMESS output.txt (15.6 k)
JR Schmidt
Moderator
Username: Schmidt

Post Number: 290
Registered: 11-2006
Posted on Thursday, August 30, 2012 - 10:49 pm:   

There have been some significant changes to GAMESS for Windows recently. You want to:
1) Make sure you use the most recent version of WebMO (12 or 13)
2) Download GAMESS for Windows (http://www.msg.ameslab.gov/gamess/windows.html)

Step 2 is the tricky part. Do NOT get the WinGAMESS MSI file. This not a native Windows version, but a port that runs under Cygwin. GAMESS now provides native 32 and 64 bit binaries (see above link) which work MUCH better.

These native binaries are supported (exclusively, actually) in the most recent versions of WebMO. The GAMESS folks are phasing out support for the old WinGAMESS/Cygwin version.
Pete Smith
Unregistered guest
Posted on Friday, August 31, 2012 - 10:16 am:   

Thank you!

I have upgraded and I wasn't sure which version of GAMESS to use. The System Requirements portion of webmo.net still references WinGAMESS 2007...
Pete Smith
Unregistered guest
Posted on Friday, August 31, 2012 - 11:53 am:   

I downloaded the current GAMESS for Windows x64. It installed to c:\gamess.64. I see the gamess.11-64.exe file, but there is no ddikick.exe. So, I am not sure what to put in the ddikick field.

When I try to change the settings for GAMESS in the Interface Manager, I get the error that no GAMESS installation is found at the specified location.

I get the same message when I rename the folder to c:\WinGAMESS.

Am I missing something?

Thanks!
JR Schmidt
Moderator
Username: Schmidt

Post Number: 291
Registered: 11-2006
Posted on Friday, August 31, 2012 - 1:22 pm:   

Just leave the ddikick.x field blank. They removed ddikick.x on the new Windows build.

Leaving it blank is acceptable on the most recent versions of WebMO, v13. I don't recall if it work on prior versions.
Pete Smith
Unregistered guest
Posted on Monday, September 03, 2012 - 4:49 pm:   

Ok. Here is my newest problem. I still cannot get WinGAMESS to run in WebMO. I have verified that GAMESS x64 runs using the command prompts (both runall.bat and rungms.bat) However, I get this consistent error when running in WebMO:

'mpiexec' is not recognized as an internal or external command, operable program or batch file.

I have attached the raw output file from WebMO. I am not sure what to do next. Thanks for your help.

Pete
text/plainGAMESS x64 raw output
WinGAMESS output.txt (6.6 k)
JR Schmidt
Moderator
Username: Schmidt

Post Number: 293
Registered: 11-2006
Posted on Monday, September 03, 2012 - 5:48 pm:   

Please see the gamess setup instructions. You also need to install MPI. This is also a change from the old Cygwin version.

http://www.msg.chem.iastate.edu/~sarom/WinGAMESS-setup-guide-64.pdf
Pete Smith
Unregistered guest
Posted on Tuesday, September 04, 2012 - 12:05 pm:   

I had installed MPI. It turns out that I needed to reboot the computer for it to take effect. Nowhere in the documentation does it tell you to do it nor is there a popup prompt.

All is working normally. Thanks for your help.

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