From 7994364a483c64ada2337e62fabefd3153e7d389 Mon Sep 17 00:00:00 2001
From: Carlo Antonio Pignedoli <c.pignedoli@gmail.com>
Date: Thu, 18 Jul 2024 13:19:48 +0000
Subject: [PATCH] elpa protocol in global

---
 .../workflows/cp2k/protocols/gw_protocols.yml            | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/aiida_nanotech_empa/workflows/cp2k/protocols/gw_protocols.yml b/aiida_nanotech_empa/workflows/cp2k/protocols/gw_protocols.yml
index 68ecb2ee..145b6b93 100644
--- a/aiida_nanotech_empa/workflows/cp2k/protocols/gw_protocols.yml
+++ b/aiida_nanotech_empa/workflows/cp2k/protocols/gw_protocols.yml
@@ -93,6 +93,7 @@ gpw_std_scf_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -143,6 +144,7 @@ gpw_std_gw_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -197,6 +199,7 @@ gpw_std_ic_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -236,6 +239,7 @@ gapw_std_scf_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -284,6 +288,7 @@ gapw_std_gw_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -337,6 +342,7 @@ gapw_std_ic_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -376,6 +382,7 @@ gapw_hq_scf_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''
@@ -424,6 +431,7 @@ gapw_hq_gw_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS:  ''
@@ -477,6 +485,7 @@ gapw_hq_ic_step:
       CELL:
         PERIODIC: NONE
   GLOBAL:
+    ELPA_KERNEL: AVX2_BLOCK2
     RUN_TYPE: ENERGY
     PRINT_LEVEL: MEDIUM
     EXTENDED_FFT_LENGTHS: ''