From 7d7a129d0117ce6052a8f3111022c623f7498275 Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi
Date: Fri, 14 Jan 2022 22:47:30 +0100
Subject: [PATCH] Misspells, GPU case
---
Modules/command_line_options.f90 | 2 +-
PW/src/setup.f90 | 10 ++++++----
2 files changed, 7 insertions(+), 5 deletions(-)
diff --git a/Modules/command_line_options.f90 b/Modules/command_line_options.f90
index 89a3499dd..93561e9ae 100644
--- a/Modules/command_line_options.f90
+++ b/Modules/command_line_options.f90
@@ -115,7 +115,7 @@ CONTAINS
READ ( arg, *, ERR = 15, END = 15) ntg_ ! read the argument as ntg_
nyfft_ = ntg_ ! set nyfft_ equal to ntg_
narg = narg + 1
- CASE ( '-pd', 'use_pd', '-pencil_decomposition', '-use_pencil_decomposition' )
+ CASE ( '-pd', '-use_pd', '-pencil_decomposition', '-use_pencil_decomposition' )
IF (read_string) THEN
CALL my_getarg ( input_command_line, narg, arg )
ELSE
diff --git a/PW/src/setup.f90 b/PW/src/setup.f90
index e6984b912..8674cce87 100644
--- a/PW/src/setup.f90
+++ b/PW/src/setup.f90
@@ -655,7 +655,7 @@ SUBROUTINE setup()
nr3 = good_fft_order( 2*nr3, fft_fact(3) )
CALL setup_para ( nr3, nkstot, nbnd )
!
- ! ... distribute k-points across processors of a poool
+ ! ... distribute k-points across processors of a pool
!
kunit = 1
CALL divide_et_impera ( nkstot, xk, wk, isk, nks )
@@ -781,10 +781,12 @@ task: do np = 2, maxtask
ntask_groups, nproc_bgrp / ntask_groups
IF ( nmany_ > 1) WRITE( stdout, '(5X,"FFT bands division: nmany = ",I7)' ) nmany_
!
- ! linear-algebra - default for ndiag_: matrices nbnd*nbnd should not be
- ! distributed in blocks smaller than say 100x100
+ ! linear algebra - for GPUs, ndiag_=1; otherwise, a value ensuring that
+ ! matrices nbnd*nbnd are distributed into blocks of size > 100x100 or so
+ !
+ if ( use_gpu ) ndiag_ = 1
+ if ( ndiag_ == 0 ) ndiag_ = max(1,nint(nbnd/100.)**2)
!
- if ( ndiag_ == 0 .and. .not. use_gpu) ndiag_ = max(1,nint(nbnd/100.)**2)
CALL set_para_diag( nbnd, use_para_diag )
!
END SUBROUTINE setup_para