5.4.1
Posted: Wed Oct 07, 2015 10:36 pm
Hello,
The technical staff have installed 5.4.1 on one of the clusters that we use. They told me that there are three executable versions: vasp_std, vasp_ncl and vasp_gam, but did not know the difference (standard, gamma, and non-linear). I calculated one same job using those three executables, and have not seen difference in the final calculated energy for a silicon surface. However, there are some differences in the used CPU. Could somebody give me some information about it, also what are the specific advantages of using 5.4.1 over 5.3.5?
Thanks.
Best Regards,
-M.
The technical staff have installed 5.4.1 on one of the clusters that we use. They told me that there are three executable versions: vasp_std, vasp_ncl and vasp_gam, but did not know the difference (standard, gamma, and non-linear). I calculated one same job using those three executables, and have not seen difference in the final calculated energy for a silicon surface. However, there are some differences in the used CPU. Could somebody give me some information about it, also what are the specific advantages of using 5.4.1 over 5.3.5?
Thanks.
Best Regards,
-M.