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