Compilation of VASP 6.4.3 with DFT-D4 3.6.0
Posted: Thu Jun 06, 2024 10:51 am
Hello everyone,
while trying to compile VASP 6.4.3 with DFT-D4 3.6.0 I'm running into the problem that during the final linking "undefined reference" errors appear (see attached log).
Since these errors are known in case the makefile (also attached) is incorrect (see for example https://github.com/dftd4/dftd4/issues/216) I double checked that. However, I couldn't find any source of errors.
To check whether I did some mistakes in the compilation of D4 I also tried an older version 3.5.0, which I used with VASP 6.4.2. Here, I observed the same linking errors. However, if I use VASP 6.4.2 with the same makefile everything compiles without errors.
So, my question would be if anyone already compiled the latest VASP version with D4 and could assist me here? Also, I'm not really sure whether this problem has to be addressed by VASP staff or is related to some problems within D4 - so I appreciate your hints.
Thanks in advance!
Best,
Fabian
while trying to compile VASP 6.4.3 with DFT-D4 3.6.0 I'm running into the problem that during the final linking "undefined reference" errors appear (see attached log).
Since these errors are known in case the makefile (also attached) is incorrect (see for example https://github.com/dftd4/dftd4/issues/216) I double checked that. However, I couldn't find any source of errors.
To check whether I did some mistakes in the compilation of D4 I also tried an older version 3.5.0, which I used with VASP 6.4.2. Here, I observed the same linking errors. However, if I use VASP 6.4.2 with the same makefile everything compiles without errors.
So, my question would be if anyone already compiled the latest VASP version with D4 and could assist me here? Also, I'm not really sure whether this problem has to be addressed by VASP staff or is related to some problems within D4 - so I appreciate your hints.
Thanks in advance!
Best,
Fabian