abinit

History

trunk d1c4956f70 Update copyright from 2024 to 2025		2025-02-17 11:50:32 +01:00
..
Input	Modifications in order to pass on alps_intel_2025_elpa. Tuning of tolerances, but also this worker is excluded for 19 tests related to cprj, and 1 test related to GWR (paral_78)	2025-02-16 18:41:25 +01:00
Refs	Update copyright from 2024 to 2025	2025-02-17 11:50:32 +01:00
README	Initialize tests/v10	2024-03-22 05:55:22 +01:00
__init__.py	Add new test to cover the use of npband without wfoptalg for norm-conserving.	2024-12-16 18:24:04 +01:00

README

This directory, paral, contains tests which exercise parallel
features of the ABINIT package, for which mpiio is NOT activated.

Please, see the README file in the tests directory (above this one) to get help.


Tests 01 to 20 are related to ground-state (and TDDFT) parallel computations, based on k-point, spin and image parallelism only (no band-FFT).
Tests 21 to 50 are related to ground-state parallel band-FFT computations, possibly combined with the other levels of parallelisation.
Tests 51 to 70 are related to response-function parallel computations
Tests 71 to 80 are related to GW calculations
Tests 81 to 101 are other types of calculations (DMFT at present, multibinit and BigDFT).