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quantum-espresso
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Misspells, GPU case

This commit is contained in:
Paolo Giannozzi 2022-01-14 22:47:30 +01:00
parent 1afaad011b
commit 7d7a129d01
2 changed files with 7 additions and 5 deletions
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2
Modules/command_line_options.f90
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@ -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

10
PW/src/setup.f90
View File

@ -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