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use size specific stacks by default

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svn-origin-rev: 13155
This commit is contained in:
Joost VandeVondele 2013-09-22 11:16:09 +00:00
parent ba90293a64
commit aa8f9f6502
6 changed files with 18 additions and 18 deletions
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12
src/dbcsr_lib/dbcsr_config.F
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@ -157,9 +157,9 @@ MODULE dbcsr_config
INTEGER, SAVE :: mm_stack_size = 1000
! Number of stacks to use
INTEGER, SAVE :: nm_stacks = 0
INTEGER, SAVE :: nn_stacks = 0
INTEGER, SAVE :: nk_stacks = 0
INTEGER, SAVE :: nm_stacks = 3
INTEGER, SAVE :: nn_stacks = 3
INTEGER, SAVE :: nk_stacks = 3
INTEGER, SAVE :: nstackbuffers = 1
! Configuration of an MPI progress thread
@ -190,9 +190,9 @@ CONTAINS
!defaults
mm_stack_size = 1000
nm_stacks = 0
nn_stacks = 0
nk_stacks = 0
nm_stacks = 3
nn_stacks = 3
nk_stacks = 3
nstackbuffers = 0
IF(has_smm_vec) THEN

12
tests/QS/regtest-dm-ls-scf/TEST_FILES
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@ -21,12 +21,12 @@ ace_ala_nme_pm6_03.inp 11
ace_ala_nme_pm6_04.inp 11
ace_ala_nme_pm6_05.inp 11
ace_ala_nme_pm6_06.inp 11
ace_ala_nme_pm6_07.inp 11
ace_ala_nme_pm6_08.inp 11
ace_ala_nme_pm6_09.inp 11
ace_ala_nme_pm6_10.inp 11
ace_ala_nme_pm6_11.inp 11
ace_ala_nme_pm6_12.inp 11
ace_ala_nme_pm6_07.inp 11 3e-08
ace_ala_nme_pm6_08.inp 11 3e-08
ace_ala_nme_pm6_09.inp 11 3e-08
ace_ala_nme_pm6_10.inp 11 1e-07
ace_ala_nme_pm6_11.inp 11 1e-07
ace_ala_nme_pm6_12.inp 11 1e-07
H2O-32-dftb-trs4.inp 11
H2O-32-dftb-ls-5.inp 11
H2O-32-dftb-ls-6.inp 11

6
tests/QS/regtest-hfx/TEST_FILES
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@ -7,9 +7,9 @@ H2O-hfx-3.inp 1 3e-14
CH-hfx-md.inp 2 5e-12
CH-hfx-md-2.inp 2 5e-12
H2O_pw.inp 22
4H2O-disk.inp 1
4H2O-mix-disk-ram.inp 1
4H2O-mix-disk-ram-on-the-fly.inp 1
4H2O-disk.inp 1 5e-14
4H2O-mix-disk-ram.inp 1 5e-14
4H2O-mix-disk-ram-on-the-fly.inp 1 5e-14
H2O-geminal-1.inp 1
He-ri.inp 1
H2O-hfx-emd.inp 2

2
tests/SCP/regtest-scp/TEST_FILES
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@ -10,7 +10,7 @@ monomer-r2.inp 1
monomer-r3.inp 1
# SCP test dimer
w2.inp 1 2e-13
w2-r1.inp 1 2e-11
w2-r1.inp 1 2e-10
w2-r2.inp 1 1E-10
# SCP test argon
argon1.inp 1

2
tests/SE/regtest-3-3/TEST_FILES
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@ -4,7 +4,7 @@ wfn_ex2.inp 3
wfn_ex3.inp 3
wfn_ex4.inp 3
# EWALD with LSD
H2O-4.inp 3 5e-14
H2O-4.inp 3 4e-13
# NDDO Stress tensor
LiH.inp 31
# PERIODIC NDDO

2
tests/SE/regtest/TEST_FILES
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@ -41,7 +41,7 @@ tio.inp 3
H2O-MNDO-si.inp 3
H2O-MNDO-si-nc.inp 3
# SCP NDDO
dimer.inp 3
dimer.inp 3 7e-14
dimer2.inp 3
dimer3.inp 3 3e-13
dimer4.inp 3 4e-14