I'm trying to use GAMESS (US) for my calculation. I already installed it in my windows 7 with the help of a tutorial but now i can't use it properly. I made input file by using Avogadro(software). I'm at initial level so can anyone help me with any tutorial/video for its Windows version?
Hello.
Try here: http://www.d.umn.edu/~psiders/courses/chem4642/quantumchemsoftware/tutorial/gamess/gamess.html
Best regards.
Kapil Dhaka: Gamess-US has a very useful forum in the form of a Google group. Visit http://groups.google.com/group/gamess and suscribe to the group.
This tutorial might help: Tutorial on Density Functional Theory using GAMESS
https://medium.com/modern-physics/tutorial-on-density-functional-theory-using-gamess-5c3e988f5f01
I have downloaded Gamess US version 2019.R1.P1.pgiblas and installed it on Windows 10 version 1709 (OS Build 16229.1451). the installation went smoothly, but when I was trying to install MS-MPI, the exe file exist in the gamess-64 folder didn't work so I had to download msmpisdk.msi file from microsoft and install it. however after everything is installed and computer reboot, none of the test files work and when I perform "runall.bat 2019.R1.P1.pgiblas 1" I get error message for every single 47 exam files as
"'mpiexec' is not recognized as internal or external command, operable program or batch file.".
Can some one help me with this? what is the problem?
Ricardo J Ferreira Does the link you shared has a new address? It does not show
Daryoush Tahmassebi : It seems that after the installation mpiexec for some reason was not in your Windows system path. How to set ist manally is explained here:
https://helpdeskgeek.com/how-to/fix-not-recognized-as-an-internal-or-external-command/
I am interested in using GAMESSPLUS but I don't have any experience. Anyone has any video how to build input files, run the file with different models and analyzing the output files? Please uploading link for file for helping please? Thank you so much.
What part of using GAMESS are you stuck in?
Did you get the source package? or you downloaded directly the windows version)
Could you configure the compilation?
Are you able to rungms?
Do you know the structure of an input file?
This geometry corresponds to a benzene partially staked to one indole.
This run attempts to optimize obtain an ideal geometry.
All you have to do is rungms Indol-Benzene
You may need a lot of memory and cycles to converge this two residues.
Try not to load too much your laptop. They are NOT meant for this job.
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