bur report: ML_ISTART=3, ^@ in System name of ML_ABN

[jianli_shao1]

VASP version: 6.3.2
RUN job: testsuite/tests/ML_FeCrNi_ISTART3

Hi,
When i run testjob with ML_ISTART=3, the "System name" in ML_ABN from the second system will starts to appear garbled text, like

Code: Select all

     
     Configuration num.     14
==================================================
     System name
--------------------------------------------------
     ^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@
==================================================

[ferenc_karsai]

Thank you very much for reporting that.

Yes that happens also if I run the calculation. But the data is ok and also the rest. So for a quick fix just rename the files in the ML_ABN file.

I will fix that problem until the next update of the code.

[ferenc_karsai]

So I've fixed it in the code.

The fix will be in the next update, but since it is a one liner so I can post the fix here:

In the file ml_ff_abinitio.F change the line 2041 from

MLH_TMP%AB%SZNAM2_INPUT(1:ML_SUPER_HANDLE%AB%NSYS_ALLOCAE)=ML_SUPER_HANDLE%AB%SZNAM2_INPUT(1:ML_SUPER_HANDLE%AB%NSYS_ALLOCATE)

to

MLH_TMP%AB%SZNAM2_INPUT(1:ML_SUPER_HANDLE%AB%MCONF_ALLOCATE)=ML_SUPER_HANDLE%AB%SZNAM2_INPUT(1:ML_SUPER_HANDLE%AB%MCONF_ALLOCATE)


Thanks again for making us aware of this problem.