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-npot flag to deal with potential parallelization (recently suppressed) mapped into image parallelization 

a few more flags needed for ACFDT added to acfdtest.f90 (hopefully soon to be removed)
 makedeps.sh adapted to the new LR_Modules structure 



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12247 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
degironc 2016-03-24 19:14:59 +00:00
parent 3c37f2f6c7
commit 620330f595
3 changed files with 7 additions and 3 deletions
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2
Modules/command_line_options.f90
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@ -90,7 +90,7 @@ CONTAINS
ENDIF ENDIF
IF ( TRIM (input_file_) == ' ' ) GO TO 15 IF ( TRIM (input_file_) == ' ' ) GO TO 15
narg = narg + 1 narg = narg + 1
CASE ( '-ni', '-nimage', '-nimages' ) CASE ( '-ni', '-nimage', '-nimages', '-npot' )
IF (read_string) THEN IF (read_string) THEN
CALL my_getarg ( input_command_line, narg, arg ) CALL my_getarg ( input_command_line, narg, arg )
ELSE ELSE

2
PHonon/PH/acfdtest.f90
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@ -14,6 +14,7 @@ MODULE acfdtest
USE kinds USE kinds
SAVE SAVE
LOGICAL :: acfdt_is_active=.FALSE. LOGICAL :: acfdt_is_active=.FALSE.
LOGICAL :: off_vrs_setup =.FALSE.
LOGICAL :: acfdt_num_der=.FALSE. LOGICAL :: acfdt_num_der=.FALSE.
LOGICAL :: acfdt_term1 = .FALSE. LOGICAL :: acfdt_term1 = .FALSE.
LOGICAL :: acfdt_term2 = .FALSE. LOGICAL :: acfdt_term2 = .FALSE.
@ -29,5 +30,6 @@ MODULE acfdtest
REAL(DP):: sum_der_etot=1.0_DP REAL(DP):: sum_der_etot=1.0_DP
REAL(DP), ALLOCATABLE :: vrs_save(:) REAL(DP), ALLOCATABLE :: vrs_save(:)
REAL(DP), ALLOCATABLE :: den_xc(:) REAL(DP), ALLOCATABLE :: den_xc(:)
LOGICAL :: skip_ph = .FALSE.
END MODULE acfdtest END MODULE acfdtest

6
install/makedeps.sh
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@ -14,7 +14,7 @@ then
dirs=" LAXlib FFTXlib Modules clib PW/src CPV/src PW/tools upftools PP/src \ dirs=" LAXlib FFTXlib Modules clib PW/src CPV/src PW/tools upftools PP/src \
PWCOND/src LR_Modules/ \ PWCOND/src LR_Modules/ \
PHonon/Gamma PHonon/PH PHonon/D3 PHonon/FD atomic/src XSpectra/src \ PHonon/Gamma PHonon/PH PHonon/D3 PHonon/FD atomic/src XSpectra/src \
ACDFT NEB/src TDDFPT/src GIPAW/src GWW/pw4gww GWW/gww GWW/head GWW/bse" ACFDT NEB/src TDDFPT/src GIPAW/src GWW/pw4gww GWW/gww GWW/head GWW/bse"
elif elif
test $1 = "-addson" test $1 = "-addson"
@ -63,7 +63,9 @@ for dir in $dirs; do
DEPENDS="$DEPEND1 $LEVEL1/PW/src $LEVEL1/PHonon/PH" ;; DEPENDS="$DEPEND1 $LEVEL1/PW/src $LEVEL1/PHonon/PH" ;;
PW/src | CPV/src | atomic/src | GWW/gww ) PW/src | CPV/src | atomic/src | GWW/gww )
DEPENDS="$DEPEND2" ;; DEPENDS="$DEPEND2" ;;
PW/tools | PP/src | PWCOND/src | PHonon/FD | PHonon/PH | PHonon/Gamma | XSpectra/src | PWCOND/src | GWW/pw4gww | NEB/src | GIPAW/src ) PW/tools | PP/src | PWCOND/src | GWW/pw4gww | NEB/src )
DEPENDS="$DEPEND2 $LEVEL2/PW/src" ;;
PHonon/FD | PHonon/PH | PHonon/Gamma | XSpectra/src | GIPAW/src )
DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules" ;; DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/LR_Modules" ;;
PHonon/D3 | GWW/head | TDDFPT/src ) PHonon/D3 | GWW/head | TDDFPT/src )
DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules" ;; DEPENDS="$DEPEND2 $LEVEL2/PW/src $LEVEL2/PHonon/PH $LEVEL2/LR_Modules" ;;