Refact fast collisions

[attacc]

This branch fixes a bug in the parallelization of LSEX, and reduce the memory in the overlaps calculation. Test on gfortran are green

https://media.yambo-code.eu/robots/refact_fast-collisions/attacc-lavoro.php

intel is running. claudio

[sangallidavide]

It is a bug fix of the tech. Fine with me to merge.

[sangallidavide]

I still have a fail running in parallel. This time due to parallel I/O

 <---> P1: [PARALLEL Oscillators for OSCL bands on 1 CPU] Loaded/Total (Percentual):36/36(100%)
 <---> P1: [OSC] Checking oscillators header
 <---> P1: [OSC] Missing or broken oscillators
 <02s> P1: [PARALLEL distribution for Wave-Function states] Loaded/Total(Percentual):6/6(100%)
 <02s> P1: [FFT-OSC] Mesh size:  12  12  27

 <02s> P1: [OSC] Oscillators : |                                        | [000%] --(E) --(X)
P1: [ERROR] STOP signal received while in[05.01] Messaging
P1: [ERROR] Writing File ./16_linear_lhf_coll//ndb.OSCLL_fragment_1; Variable  NOT DEFINED; NetCDF: HDF error

Input variables:

NL_CPU="1.4"
DIP_CPU="2.2.1"
DIP_CPU="2.2.1"
OSCLL_CPU="2.2"

[attacc]

Ok I will have a look

Il mar 25 giu 2024, 19:23 Davide Sangalli @.***> ha scritto:

I still have a fail running in parallel. This time due to parallel I/O

<---> P1: [PARALLEL Oscillators for OSCL bands on 1 CPU] Loaded/Total (Percentual):36/36(100%) <---> P1: [OSC] Checking oscillators header <---> P1: [OSC] Missing or broken oscillators

<02s> P1: [PARALLEL distribution for Wave-Function states] Loaded/Total(Percentual):6/6(100%) <02s> P1: [FFT-OSC] Mesh size: 12 12 27 <02s> P1: [OSC] Oscillators : | | [000%] --(E) --(X) P1: [ERROR] STOP signal received while in[05.01] Messaging P1: [ERROR] Writing File ./16_linear_lhf_coll//ndb.OSCLL_fragment_1; Variable NOT DEFINED; NetCDF: HDF error Input variables: NL_CPU="1.4" DIP_CPU="2.2.1" DIP_CPU="2.2.1" OSCLL_CPU="2.2" — Reply to this email directly, view it on GitHub , or unsubscribe . You are receiving this because you modified the open/close state.Message ID: ***@***.***>