Dear all,
I´m having a problem with allocate memory. My input for the eFeSi is:
tasks 0
xctype -3
spinpol .true.
autormt .true.
!autokpt ! .true.
nempty 30
bfieldc 0.0 0.0 0.01
beta0 0.01
gmaxvr 12.5
epspot 1.d-4
avec -8.483000000 0.000000000 0.000000000 0.000000000 -8.483000000 0.000000000 0.000000000 0.000000000 -8.483000000
sppath '/usr/local/exciting/species/'
atoms 2 : nspecies 'Fe.in' : spfname 4 : natoms; atposl, bfcmt below 0.86959717 0.86957332 0.86942904 0.00000000 0.00000000 0.00000000 0.63040283 0.13042668 0.36942904 0.00000000 0.00000000 0.00000000 0.36967561 0.63068214 0.13023048 0.00000000 0.00000000 0.00000000 0.13032439 0.36931786 0.63023048 0.00000000 0.00000000 0.00000000 'Si.in' : spfname 4 : natoms; atposl, bfcmt below 0.16327268 0.16213787 0.16134498 0.00000000 0.00000000 0.00000000 0.33672732 0.83786213 0.66134498 0.00000000 0.00000000 0.00000000 0.66252705 0.33731351 0.83810907 0.00000000 0.00000000 0.00000000 0.83747295 0.66268649 0.33810907 0.00000000 0.00000000 0.00000000
ngridk 2 2 2
vkloff 0.750 0.750 0.750
maxitexx 30
dtauexx 0.5
tau0exx 1.5
after a few minutes it stop with the mensage:
Info(exxvnl): 1 of 8 k-points At line 101 of file exxvnl.f90 Operating system error: Cannot allocate memory Memory allocation failed
I already did change memory, but the error continue. Someone can help me.
regards,
lccfisica
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Dear all,
I´m having a problem with allocate memory. My input for the eFeSi is:
tasks
0
xctype
-3
spinpol
.true.
autormt
.true.
!autokpt
! .true.
nempty
30
bfieldc
0.0 0.0 0.01
beta0
0.01
gmaxvr
12.5
epspot
1.d-4
avec
-8.483000000 0.000000000 0.000000000
0.000000000 -8.483000000 0.000000000
0.000000000 0.000000000 -8.483000000
sppath
'/usr/local/exciting/species/'
atoms
2 : nspecies
'Fe.in' : spfname
4 : natoms; atposl, bfcmt below
0.86959717 0.86957332 0.86942904 0.00000000 0.00000000 0.00000000
0.63040283 0.13042668 0.36942904 0.00000000 0.00000000 0.00000000
0.36967561 0.63068214 0.13023048 0.00000000 0.00000000 0.00000000
0.13032439 0.36931786 0.63023048 0.00000000 0.00000000 0.00000000
'Si.in' : spfname
4 : natoms; atposl, bfcmt below
0.16327268 0.16213787 0.16134498 0.00000000 0.00000000 0.00000000
0.33672732 0.83786213 0.66134498 0.00000000 0.00000000 0.00000000
0.66252705 0.33731351 0.83810907 0.00000000 0.00000000 0.00000000
0.83747295 0.66268649 0.33810907 0.00000000 0.00000000 0.00000000
ngridk
2 2 2
vkloff
0.750 0.750 0.750
maxitexx
30
dtauexx
0.5
tau0exx
1.5
after a few minutes it stop with the mensage:
Info(exxvnl): 1 of 8 k-points
At line 101 of file exxvnl.f90
Operating system error: Cannot allocate memory
Memory allocation failed
I already did change memory, but the error continue. Someone can help me.
regards,
lccfisica