[QE-users] Regarding Relaxing atomic positions with version 6.8

[Takahiro Chiba]

Dear Konda,

Why don't you add "ndiag=1" after pw.x?
mpirun -np ${NSLOTS} pw.x -npool ${NumOfK} -ntg 1 -ndiag 1 < ${INP} > ${OUT}

---Sender---
Takahiro Chiba
1st-year student at grad. school of chem. sci. and eng., Hokkaido Univ.
Expected graduation date: Mar. 2023
takahiro_chiba at eis.hokudai.ac.jp
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2021年8月25日(水) 18:40 Paolo Giannozzi <p.giannozzi at gmail.com>:
>
> Hard to say what happens and why, without a test that can be run.
>
> Paolo
>
> Il mer 25 ago 2021, 11:22 Kondaiah Samudrala <konda.physics at gmail.com> ha scritto:
>>
>> Dear Minkyu Park,
>>
>> Yes, I have tried with "cg", still having the same problem. But I will try with other suggestion. Still, why does it happens for the latest versions. The same input is running with 6.4 version or older.
>>
>> with regards
>> Konda
>>
>> University of Seoul, Seoul,
>> South Korea
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