Commit 0b3e6593 authored by Gregor Michalicek's avatar Gregor Michalicek

Add parallelization recommendations also to info mode

parent 64f82bd8
...@@ -71,7 +71,7 @@ MODULE m_cdn_io ...@@ -71,7 +71,7 @@ MODULE m_cdn_io
CALL getMode(mode) CALL getMode(mode)
WRITE(*,'(a)') 'Available densities info' WRITE(*,*) 'Available densities info:'
WRITE(*,*) WRITE(*,*)
IF(mode.EQ.CDN_HDF5_MODE) THEN IF(mode.EQ.CDN_HDF5_MODE) THEN
...@@ -80,7 +80,7 @@ MODULE m_cdn_io ...@@ -80,7 +80,7 @@ MODULE m_cdn_io
IF (l_exist) THEN IF (l_exist) THEN
CALL openCDN_HDF(fileID,currentStarsIndex,currentLatharmsIndex,currentStructureIndex,& CALL openCDN_HDF(fileID,currentStarsIndex,currentLatharmsIndex,currentStructureIndex,&
currentStepfunctionIndex,readDensityIndex,lastDensityIndex) currentStepfunctionIndex,readDensityIndex,lastDensityIndex)
WRITE(*,'(a)') 'densityIndex prevDensity iteration distance' WRITE(*,*) 'densityIndex iteration prevDensity prevDistance'
DO i = 1, lastDensityIndex DO i = 1, lastDensityIndex
archiveName = '' archiveName = ''
WRITE(archiveName,'(a,i0)') '/cdn-', i WRITE(archiveName,'(a,i0)') '/cdn-', i
...@@ -95,7 +95,7 @@ MODULE m_cdn_io ...@@ -95,7 +95,7 @@ MODULE m_cdn_io
stepfunctionIndexTemp,previousDensityIndex, jspinsTemp,& stepfunctionIndexTemp,previousDensityIndex, jspinsTemp,&
distanceTemp, fermiEnergyTemp, l_qfixTemp) distanceTemp, fermiEnergyTemp, l_qfixTemp)
WRITE(*,'(i7,8x,i7,5x,i7,4x,f15.8)') i, previousDensityIndex, iterTemp, distanceTemp WRITE(*,'(1x,i7,6x,i7,7x,i7,4x,f15.8)') i, iterTemp, previousDensityIndex, distanceTemp
END DO END DO
CALL closeCDNPOT_HDF(fileID) CALL closeCDNPOT_HDF(fileID)
......
...@@ -19,13 +19,17 @@ MODULE m_fleur_info ...@@ -19,13 +19,17 @@ MODULE m_fleur_info
CONTAINS CONTAINS
SUBROUTINE fleur_info() SUBROUTINE fleur_info(kpts)
USE m_juDFT USE m_juDFT
USE m_cdn_io USE m_cdn_io
USE m_setupMPI
USE m_types
IMPLICIT NONE IMPLICIT NONE
TYPE(t_kpts), INTENT(IN) :: kpts
LOGICAL :: l_exist LOGICAL :: l_exist
IF (.NOT.juDFT_was_argument("-info")) RETURN IF (.NOT.juDFT_was_argument("-info")) RETURN
...@@ -33,6 +37,8 @@ MODULE m_fleur_info ...@@ -33,6 +37,8 @@ MODULE m_fleur_info
WRITE(*,*) 'Fleur info mode' WRITE(*,*) 'Fleur info mode'
WRITE(*,*) '=================================================' WRITE(*,*) '================================================='
WRITE(*,*) '' WRITE(*,*) ''
CALL priv_dist_info(kpts%nkpt)
WRITE(*,*) ''
CALL printDensityFileInfo() CALL printDensityFileInfo()
WRITE(*,*) '=================================================' WRITE(*,*) '================================================='
CALL juDFT_error("Fleur info output completed") CALL juDFT_error("Fleur info output completed")
......
...@@ -491,7 +491,7 @@ ...@@ -491,7 +491,7 @@
END IF END IF
IF (mpi%irank.EQ.0) THEN IF (mpi%irank.EQ.0) THEN
CALL fleur_info() CALL fleur_info(kpts)
END IF END IF
!Finalize the MPI setup !Finalize the MPI setup
......
...@@ -143,7 +143,7 @@ CONTAINS ...@@ -143,7 +143,7 @@ CONTAINS
pe_k_only(k_only)=n pe_k_only(k_only)=n
ENDIF ENDIF
END DO END DO
WRITE(*,*) "Most efficient parallelization for:" WRITE(*,*) "Most efficient MPI parallelization for:"
WRITE(*,*) pe_k_only(:k_only) WRITE(*,*) pe_k_only(:k_only)
!check if eigenvalue parallelization is possible !check if eigenvalue parallelization is possible
IF (parallel_solver_available()) WRITE(*,*) "Additional eigenvalue parallelization possible" IF (parallel_solver_available()) WRITE(*,*) "Additional eigenvalue parallelization possible"
......
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