Maxwell -TDDFT tests failing on GPUs
It was producing 0 values with the fosscuda2022 compiler, I disabled GPU runs in the input files of the tests, but we have to check in detail what is going on. It might be related with the calculation of the field and field gradient at the center of mass (could it be that when running in GPUs, the center of mass point index is not OK?).
Namely, the tests are the following:
- 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
- 13-extsource-bessel.02-carbon-td.inp
- 13-extsource-bessel.03-carbon-td-shifted-bessel.inp
Edited by Franco Bonafé