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fleur
fleur
Commits
9432d20e
Commit
9432d20e
authored
Feb 01, 2019
by
Daniel Wortmann
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Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop
parents
d03bd219
ca12bab0
Changes
2
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+5
-3
eigen_soc/ssomat.F90
eigen_soc/ssomat.F90
+1
-1
external/elpa/install_elpa.sh
external/elpa/install_elpa.sh
+4
-2
No files found.
eigen_soc/ssomat.F90
View file @
9432d20e
...
...
@@ -407,7 +407,7 @@ CONTAINS
ELSE
bandf
=
1
ENDIF
IF
(
ABS
(
AIMAG
(
matel
(
bandf
,
band2
,
n
)))
>
1.e-
10
)
THEN
IF
(
ABS
(
AIMAG
(
matel
(
bandf
,
band2
,
n
)))
>
1.e-
8
)
THEN
PRINT
*
,
bandf
,
band2
,
n
,
AIMAG
(
matel
(
bandf
,
band2
,
n
))
CALL
judft_error
(
'Stop in ssomatel: diagonal matrix element not real'
)
ENDIF
...
...
external/elpa/install_elpa.sh
View file @
9432d20e
...
...
@@ -6,8 +6,10 @@ then
curl
-LO
"http://elpa.mpcdf.mpg.de/html/Releases/
${
elpa_version
}
/elpa-
${
elpa_version
}
.tar.gz"
tar
xzf elpa-
${
elpa_version
}
.tar.gz
cd
elpa-
${
elpa_version
}
#configure
./configure
--enable-c-tests
=
no
--disable-doxygen-doc
--enable-shared
=
no
--disable-mpi-module
--disable-legacy
--enable-openmp
--prefix
=
$PWD
/INSTALL_DIR
#configue
./configure
--enable-c-tests
=
no
--disable-doxygen-doc
--enable-shared
=
no
--disable-mpi-module
--enable-openmp
--prefix
=
$PWD
/INSTALL_DIR
\
--enable-option-checking
=
fatal
SCALAPACK_LDFLAGS
=
"-L
$MKLROOT
/lib/intel64 -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread "
\
SCALAPACK_FCFLAGS
=
"-I
$MKL_HOME
/include/intel64/lp64"
#Compile&test (This will take a while)
make
#Do make install
...
...
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