Search found 10 matches
- Wed Feb 14, 2024 12:27 am
- Forum: VTSTTools
- Topic: Cores for NEB
- Replies: 2
- Views: 45836
Re: Cores for NEB
Thank you for your reply.
- Tue Feb 13, 2024 9:50 pm
- Forum: VTSTTools
- Topic: Cores for NEB
- Replies: 2
- Views: 45836
Cores for NEB
Hello,
Does an NEB job need all cores to be run on different nodes? Or can it run on a single node? Since the supercomputer that I work with prefers all the work to not be distributed....
Does an NEB job need all cores to be run on different nodes? Or can it run on a single node? Since the supercomputer that I work with prefers all the work to not be distributed....
- Thu Feb 01, 2024 12:06 am
- Forum: VTSTTools
- Topic: Error compiling vtstcode 6.4 for VASP 6.4.1
- Replies: 8
- Views: 95764
Re: Error compiling vtstcode 6.4 for VASP 6.4.1
Ah I see. Thank you Professor, it works now!
- Tue Jan 30, 2024 10:45 pm
- Forum: VTSTTools
- Topic: Error compiling vtstcode 6.4 for VASP 6.4.1
- Replies: 8
- Views: 95764
Re: Error compiling vtstcode 6.4 for VASP 6.4.1
Thank you Professor for your quick reply. I am attaching the three files (.objects, main.F and makefile) for your reference.
Thank you for your time.
Thank you for your time.
- Tue Jan 30, 2024 7:40 pm
- Forum: VTSTTools
- Topic: Error compiling vtstcode 6.4 for VASP 6.4.1
- Replies: 8
- Views: 95764
Re: Error compiling vtstcode 6.4 for VASP 6.4.1
Hello Prof. Henkelman,
Would you have any suggestions on this? Thank you.
Would you have any suggestions on this? Thank you.
- Mon Jan 29, 2024 10:04 pm
- Forum: VTSTTools
- Topic: Error compiling vtstcode 6.4 for VASP 6.4.1
- Replies: 8
- Views: 95764
Re: Error compiling vtstcode 6.4 for VASP 6.4.1
Hello Prof. Henkelman,
Sorry for the delayed response.
I did try again, editing the .objects and makefile as mentioned in the instructions. But i still get the same error.
Sorry for the delayed response.
I did try again, editing the .objects and makefile as mentioned in the instructions. But i still get the same error.
- Tue Nov 21, 2023 5:53 pm
- Forum: VTSTTools
- Topic: Error compiling vtstcode 6.4 for VASP 6.4.1
- Replies: 8
- Views: 95764
Error compiling vtstcode 6.4 for VASP 6.4.1
Hello, I followed the instructions to build the vtst code into vasp https://theory.cm.utexas.edu/vtsttools/installation.html However I end up with an error: make[2]: *** No rule to make target 'bfgs.f90', needed by 'depend'. Stop. make[1]: *** [makefile:150: dependencies] Error 2 Could you please ...
- Mon Oct 23, 2023 8:29 pm
- Forum: VTSTTools
- Topic: Downloading vtst scripts
- Replies: 2
- Views: 43044
Re: Downloading vtst scripts
Oh got it. Thank you professor.
- Mon Oct 23, 2023 12:36 am
- Forum: VTSTTools
- Topic: Downloading vtst scripts
- Replies: 2
- Views: 43044
Downloading vtst scripts
Hello,
I am not able to download the vtst scripts from the website. The link doesnt seem to open/download anything. Also, what version of the vtst code should i use with vASP 6.4.1 and 6.4.2?
Thanks.
I am not able to download the vtst scripts from the website. The link doesnt seem to open/download anything. Also, what version of the vtst code should i use with vASP 6.4.1 and 6.4.2?
Thanks.
- Sun Oct 08, 2023 5:44 pm
- Forum: VTSTTools
- Topic: Negative energy. barrier
- Replies: 3
- Views: 55327
Negative energy. barrier
Hello,
What does it mean when all the intermediate images are having negative energy and thus the barrier is also negative? what should be done in this case?
Thank you.
What does it mean when all the intermediate images are having negative energy and thus the barrier is also negative? what should be done in this case?
Thank you.