Known issues: Difference between revisions

Revision as of 07:14, 11 April 2022

Below we provide an incomplete list of known issues. Please mind the description to see whether the issue has been fixed.

Color legend: Open Resolved Planned Obsolete

Date	Version first noticed	Version fixed	Description
2022-02-04	6.3.0	6.3.1	Incompatibility with Fujitsu compiler: Fujitsu's Fortran compiler does not support overloaded internal subroutines. A simple workaround is to compile without machine-learning–force-fileds capabilities. Comment out the macro definition of `ML_AVAILABLE` in line 626 of `src/symbol.inc` by adding a `!` in front, i.e. it should look like this: `!#define ML_AVAILABLE`. Then do a complete rebuild of VASP: run `make veryclean` followed by your desired build command.
2022-03-14	6.2.0	6.3.1	Bug in interface with Wannier90 for non-collinear spin calculations: The spin axis for non-collinear spin calculations is not correctly read from the wannier90 input file. This is because this line in the `mlwf.F` file: `MLWF%LPRJ_functions(IS)%spin_qaxis = proj_s_qaxisx(3,IS)` should instead be: `MLWF%LPRJ_functions(IS)%spin_qaxis = proj_s_qaxisx(:,IS)`. Thanks to Domenico Di Sante for reporting this bug.
2021-05-28	6.2.0	6.3.0	Bug in interface with Wannier90 writing UNK when exclude_bands present: The UNK files generated by VASP include all bands where bands specified by `exclude_bands` should be excluded. The fix is to pass the `exclude_bands` array to `get_wave_functions` in mlwf.F. Thanks to Chengcheng Xiao for reporting this bug.

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 | 2022-02-04  ||style = "background:#EAAEB2"| 6.3.0 ||style = "background:#9AB7FE"| 6.3.1 ||
-'''Incompatibility with Fujitsu compiler''': Fujitsu's Fortran compiler does not support overloaded internal subroutines. A simple workaround is to compile without [[:Category:Machine Learning|machine learning capabilities]]. Comment out the macro definition of <code>ML_AVAILABLE</code> in line 626 of <code>src/symbol.inc</code> by adding a <code>!</code> in front, i.e. it should look like this: <code>!#define ML_AVAILABLE</code>. Then do a complete rebuild of VASP: run <code>make veryclean</code> followed by your desired build command.
+'''Incompatibility with Fujitsu compiler''': Fujitsu's Fortran compiler does not support overloaded internal subroutines. A simple workaround is to compile without [[:Category:Machine-learned force fields|machine-learning&ndash;force-fileds capabilities]]. Comment out the macro definition of <code>ML_AVAILABLE</code> in line 626 of <code>src/symbol.inc</code> by adding a <code>!</code> in front, i.e. it should look like this: <code>!#define ML_AVAILABLE</code>. Then do a complete rebuild of VASP: run <code>make veryclean</code> followed by your desired build command.
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