Error running temperature_final.py

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

Moderators: MMNSchmitt, gonze

Locked
ynwu
Posts: 3
Joined: Fri Apr 28, 2017 6:01 pm

Error running temperature_final.py

Post by ynwu » Fri Apr 28, 2017 6:07 pm

Hi, all
I tried to run temperature_final.py to calculate the temperature dependence of the band gap. I made several runs with different k-mesh, and the script give me error starting at centain k-mesh: " Error sending result" and "NULL result without error in PyObject_Call". Google tells me it is possiblely due to the multi-processing with large size of data. The *GKK.nc is 81M each and EIGR2D.nc is 49 M each. I use only one core. I am not sure if this is big enough to cause this problem. Has anybody tested this big size of data before? Any suggestions? Thanks.

gabriel.antonius
Posts: 58
Joined: Mon May 03, 2010 10:34 pm

Re: Error running temperature_final.py

Post by gabriel.antonius » Thu May 11, 2017 11:49 am

I suggest using the ElectronPhononCoupling module to compute the temperature dependence of the eigenvalues or their broadening. It works with very large set of data.
Gabriel Antonius
Université du Québec à Trois-Rivières

Markk786
Posts: 2
Joined: Fri Aug 04, 2017 3:51 pm

Re: Error running temperature_final.py

Post by Markk786 » Fri Mar 09, 2018 10:44 pm


Locked