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Remove calbec_gpu from utils_gpu

This commit is contained in:
Ivan Carnimeo 2023-10-13 15:22:43 +02:00
parent 235cb72a8f
commit ddb0f89662
1 changed files with 10 additions and 9 deletions
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19
PW/src/utils_gpu.f90
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@ -19,7 +19,9 @@ SUBROUTINE matcalc_gpu( label, DoE, PrtMat, ninner, n, m, U, V, mat, ee )
USE io_global, ONLY : stdout
USE wvfct, ONLY : current_k
USE wvfct_gpum, ONLY : using_wg_d,wg_d
USE becmod_subs_gpum, ONLY : calbec_gpu
USE gvect, ONLY : gstart
USE mp, ONLY : mp_sum
USE mp_bands, ONLY : intra_bgrp_comm
!
IMPLICIT NONE
!
@ -56,7 +58,9 @@ SUBROUTINE matcalc_gpu( label, DoE, PrtMat, ninner, n, m, U, V, mat, ee )
string = 'M-'
mat = 0.0_dp
CALL calbec_gpu(ninner, U, V, mat, m)
CALL MYDGEMM( 'C', 'N', n, m, 2*ninner, 2.0_DP, U, 2*ninner, V, 2*ninner, 0.0_DP, mat, n )
IF ( gstart == 2 ) CALL MYDGER( n, m, -1.0_DP, U, 2*ninner, V, 2*ninner, mat, n )
CALL mp_sum( mat( :, 1:m ), intra_bgrp_comm )
IF( PrtMat > 1 ) CALL errore('matcalc_gpu', 'cannot print matrix', 1)
@ -86,6 +90,8 @@ SUBROUTINE matcalc_k_gpu (label, DoE, PrtMat, ik, ninner, n, m, U, V, mat, ee)
USE wvfct_gpum, ONLY : using_wg_d,wg_d
USE becmod_subs_gpum, ONLY : calbec_gpu
USE noncollin_module, ONLY : noncolin, npol
USE mp, ONLY : mp_sum
USE mp_bands, ONLY : intra_bgrp_comm
IMPLICIT NONE
!
! compute the (n,n) matrix representation <U|V>
@ -107,13 +113,8 @@ SUBROUTINE matcalc_k_gpu (label, DoE, PrtMat, ik, ninner, n, m, U, V, mat, ee)
string = 'M-'
mat = (0.0_dp, 0.0_dp)
IF(noncolin) THEN
noncolin = .false.
CALL calbec_gpu(ninner, U, V, mat, m)
noncolin = .true.
ELSE
CALL calbec_gpu(ninner, U, V, mat, m)
ENDIF
CALL MYZGEMM( 'C', 'N', n, m, ninner, (1.0_DP,0.0_DP), U, ninner, V, ninner, (0.0_DP,0.0_DP), mat, n )
CALL mp_sum( mat( :, 1:m ), intra_bgrp_comm )
IF( PrtMat > 1 ) CALL errore('matcalc_k_gpu', 'cannot print matrix', 1)