Are HPC Administrators required to hold a license to compile VASP?

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HPBHPB · #1 Post by **HPBHPB** » Fri Feb 04, 2022 5:28 pm

Could you please advise us if HPC cluster administrators are allowed to compile VASP without holding a VASP license?

Let me explain in a bit more detail. Several seasoned VASP used who have compiled the software on multiple machines could not get VASP to run on our cluster. We are operating under special restrictions. The HPC administrators got VASP running but the process was very painful since the did not want to touch any files because they are not sure about the licensing agreement. We solved the issues by me typing exactly what the admin told me in the make.include file. This took many attempts but we finally got VASP to run smoothly. However, now we would like to compile the new version of VASP and I was wondering if the system administrators are allowed to compile the code without holding a license.

#2 Post by **mmarsman** » Mon Feb 07, 2022 11:38 am

Dear HPBHPB,

In principle sysadmins that want to compile VASP for use by registered VASP-users at their HPC-site should take out a license.
However, for this particular situation we offer a free-of-charge license.
This license is called "SOFTWARE INSTALLATION AND MAINTENCANCE LICENSE AGREEMENT FOR THE USE OF VASP BY ACADEMIC OR NON-PROFIT INSTITUTIONS".
Could you please ask your sysadmins to get into contact with us (licensing@vasp.at) and request such a license?
We will help them to get the paperwork done, and they will then get access to the source-code and to this support-forum.
As I mentioned before, this kind of license is free of charge.

Furthermore, I'd be interested to know what kind of system you are running on, which problems you encountered, and how these were solved?
This could be a great help for other VASP users that run on similar systems. We could for instance add a makefile.include file to our collection.

HPBHPB · #3 Post by **HPBHPB** » Mon Feb 14, 2022 2:56 pm

This is great new. Thank you very much. I reached out to our HPC admins. They/he will contact you shortly.

alvaro_vazquez-mayagoitia1 · #4 Post by **alvaro_vazquez-mayagoitia1** » Tue Jul 26, 2022 6:43 pm

Hi, if one holds a license for "SOFTWARE INSTALLATION AND MAINTENCANCE LICENSE AGREEMENT FOR THE USE OF VASP BY ACADEMIC OR NON-PROFIT INSTITUTIONS".
Are we allowed to share publicly the makefile.include with specific flags for our computer cluster?

#5 Post by **henrique_miranda** » Wed Jul 27, 2022 3:41 pm

alvaro_vazquez-mayagoitia1 wrote: ↑Tue Jul 26, 2022 6:43 pm Hi, if one holds a license for "SOFTWARE INSTALLATION AND MAINTENCANCE LICENSE AGREEMENT FOR THE USE OF VASP BY ACADEMIC OR NON-PROFIT INSTITUTIONS".
Are we allowed to share publicly the makefile.include with specific flags for our computer cluster?

Yes

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Are HPC Administrators required to hold a license to compile VASP?

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