Error compiling vtstcode 6.4 for VASP 6.4.1

Vasp transition state theory tools

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anirudhnk2
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Joined: Sun Oct 08, 2023 5:40 pm

Error compiling vtstcode 6.4 for VASP 6.4.1

Post by anirudhnk2 »

Hello,

I followed the instructions to build the vtst code into vasp https://theory.cm.utexas.edu/vtsttools/ ... ation.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 help me to figure out this.
Thank you.
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graeme
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Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by graeme »

did you edit the .objects file as described here: https://theory.cm.utexas.edu/vtsttools/ ... ation.html ;
you can follow the directions for vasp 6.3. We'll make an update for 6.4, but it is the same - just get the files from the vtstcode.6.4 directory.
anirudhnk2
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Joined: Sun Oct 08, 2023 5:40 pm

Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by anirudhnk2 »

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.
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anirudhnk2
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Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by anirudhnk2 »

Hello Prof. Henkelman,

Would you have any suggestions on this? Thank you.
graeme
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Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by graeme »

If you are stuck, you can send me a tar.gz file of the code (with your changes, so just zipped up as it is) and I can try to reproduce the error.
anirudhnk2
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Joined: Sun Oct 08, 2023 5:40 pm

Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by anirudhnk2 »

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.
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graeme
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Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by graeme »

this line does not look good, in objects:

opt. o
anirudhnk2
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Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by anirudhnk2 »

Ah I see. Thank you Professor, it works now!
graeme
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Re: Error compiling vtstcode 6.4 for VASP 6.4.1

Post by graeme »

ok, great
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