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fix OpenMP detection on Mac OS broken by a6fee0b
2013-01-17
S
z
ilard Pall
don't use polling with new driver
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
time the GPU force c
l
earing async laun
c
h
overhead
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
console and log output improvem
e
nts
commit
|
commitdiff
|
tree
2013-01-02
Sz
i
l
a
r
d Pall
improved report
i
n
g
of f
a
iled a
f
finity
setting
commit
|
commitdiff
|
tree
2012-12-20
Szilar
d
P
a
l
l
fix inc
o
r
r
ect g
m
x_fatal
arg
u
ment o
r
der
commit
|
commitdiff
|
tree
2012-12-18
Szilard Pall
iss
u
e erro
r
i
f GPU ID
i
s prov
i
d
e
d
with GPU
acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szi
l
a
r
d Pall
do
n
'
t
warn during
c
o
n
figur
i
n
g
i
f no GPUs
we
r
e found
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
first step
towar
d
moving Op
e
nMM
support
t
o contrib
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don't auto-set nvcc ho
s
t
c
om
p
il
e
r with cmake >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szila
r
d P
a
ll
force C++
l
i
nking
o
f th
e
gpu_utils
commit
|
commitdiff
|
tree
2012-11-29
Szilard
Pall
m
a
de errors during GPU det
e
ction non
-
fa
t
al
commit
|
commitdiff
|
tree
2012-11-29
S
zi
l
ar
d
Pall
fix cmake
r
e
-running failure i
n
trod
u
ced by
e
f1127f
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
auto
m
ation for setting GMX_G
P
U
& cmake
GPU d
e
te
c
tion
commit
|
commitdiff
|
tree
2012-11-29
Sz
i
lar
d
Pall
don't p
r
i
n
t n
o
nbonded kernel in
f
o with
G
MX_NO_N
O
NBON
D
ED
commit
|
commitdiff
|
tree
2012-11-28
Szilard
Pal
l
enable GPU emu
l
ation witho
u
t
G
PU
s
upport
commit
|
commitdiff
|
tree
2012-11-28
Szilard Pall
use tMPI API
for th
r
ead affini
t
y
set
t
ing
commit
|
commitdiff
|
tree
2012-11-23
Szi
l
ard Pa
l
l
remo
v
e
d group n
o
n-boneded ca
l
l with verlet
s
che
m
e
commit
|
commitdiff
|
tree
2012-11-22
Szilard Pall
u
ns
e
t
MPI
de
t
ection leftover
c
ach
e
variables
commit
|
commitdiff
|
tree
2012-11-19
Szilard Pall
always mark
as advanc
e
d leftover Find
C
UDA varia
b
les
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pa
l
l
only use
C
PU_COUNT if i
t
'
s available
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pall
also p
r
efe
r
ent
i
ate
.
l
i
b
w
it
h
G
M
X_PREFER
_
STATIC_LIBS
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
a
u
t
o-set
nvcc host compi
l
e
r
with F
i
ndMPI de
t
e
ction
commit
|
commitdiff
|
tree
2012-11-07
S
zilard Pall
detect exte
r
nally set
C
PU affinity
commit
|
commitdiff
|
tree
2012-11-02
Szilard Pa
l
l
don't
e
xe
c
ute
a
ny mp
i
_info
/
mp
i
nam
e
in the path
commit
|
commitdiff
|
tree
2012-10-31
Szilard Pall
f
i
x intern
a
l/exter
n
al Op
e
nMP th
r
ead aff
i
nit
y
clash
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
fix
C
UDA
n
on-b
o
nded kerne
l
point
e
r assig
n
ment
commit
|
commitdiff
|
tree
2012-10-02
Szil
a
rd Pa
l
l
added Verlet scheme and NxN non-b
o
nded f
u
nctionality
commit
|
commitdiff
|
tree
2012-09-03
Szilar
d
P
all
Merge br
a
nc
h
'
r
elease-4-5-pa
t
ches' in
t
o release-4
-
6
commit
|
commitdiff
|
tree
2012-06-27
Szilard Pa
l
l
fixes typo gmx_omp introduced
b
y 697bcdc
commit
|
commitdiff
|
tree
2012-06-25
Szi
l
ard Pall
in
t
ro
d
u
ce gm
x
_omp wrapper for t
h
e
O
p
enMP API
commit
|
commitdiff
|
tree
2012-05-22
Sz
i
l
a
r
d Pall
added ex
p
licit
s
qrtf to
the
f
l
o
at
v
ersion
of norm
commit
|
commitdiff
|
tree
2012-05-02
Szi
l
ard Pall
removed -f
i
nl
i
ne-
f
unc
t
ions
from the releas
e
g
cc
flags
commit
|
commitdiff
|
tree
2012-04-26
Szilard Pall
Corrected
f
ouriersp
a
cing
d
es
c
ription
commit
|
commitdiff
|
tree
2012-04-19
Szilard Pa
l
l
c
o
m
p
iler
flag fi
x
es
commit
|
commitdiff
|
tree
2012-04-18
Szilard Pal
l
added missing #ifdef aroun
d
#inclu
d
e
"thread_mpi
.
h"
commit
|
commitdiff
|
tree
2012-04-15
S
z
i
lard
P
a
ll
enab
l
e com
m
and line op
t
ion
c
heki
n
g
in mdr
u
n
commit
|
commitdiff
|
tree
2012-03-28
Szilard
Pal
l
Merge bran
c
h
'release-4-5-p
a
tch
e
s'
int
o
rel
e
a
s
e-4-
6
commit
|
commitdiff
|
tree
2012-03-14
Szilard
Pall
fix
e
d
app
e
nding OpenM
P
compile
r
option
t
o flag
l
ist
commit
|
commitdiff
|
tree
2012-02-29
Szilard Pall
Merge branch 're
l
ease-4-
5
-patches' into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szi
l
ard
P
all
renam
e
d GMX_THREADS to
GMX_THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-02
Szilard Pall
fixed
c
onfusing nonbonded ker
n
el pointe
r
initialization
commit
|
commitdiff
|
tree
2012-01-17
S
z
ilar
d
Pal
l
Fixed timi
n
g measurem
e
nts
.
commit
|
commitdiff
|
tree
2011-04-08
Szilard Pall
f
i
xed g_tune_pme
to pas
s
c
orrect
l
y
boolean a
r
guments
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard
P
all
added cmake warnin
g
when th
e
c
ache gene
r
ated o
n
another
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilard
Pall
f
ixed buggy
detection of hostname and ti
m
e of
b
u
i
l
d
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard P
a
ll
Merge
bra
n
c
h
'release-4-5-patches'
o
f git
.
grom
a
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
S
z
i
lard Pall
Merge bra
n
c
h 'release-4-5-pa
t
che
s
' of git
.
gro
m
ac
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
S
zilard
P
a
l
l
now it
'
s po
s
sible to run binaries in
the bu
i
ld
t
ree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
rd
Pall
M
e
r
g
e branch
'release-4-
5
-patch
e
s' of
g
it
.
gr
o
macs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
enable
d
GMX
_
P
REFER
_
STATI
C
_LIBS CMake opt
i
on for CYGWIN
commit
|
commitdiff
|
tree
2010-10-29
S
zila
r
d P
a
l
l
fix
e
d the default for O
p
enMM plugin dir
l
ocation (bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
all
fixed make ins
t
all
-
mdrun issue (bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
all
(
re
)
adde
d
"-de
v
" suffix for the
C
Make hardcoded versi
o
n
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard
Pall
added CMake opt
i
o
n
GMX
_
PRE
F
ER_STATIC_LIBS (also
fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szila
r
d
P
all
fixed syntax
e
rro
r
from
c
o
mmit bd5b2724
commit
|
commitdiff
|
tree
2010-10-05
Szilard
Pall
imp
r
oved opti
o
n
compatibi
l
ity
c
hecking
w
it
h
O
penMM
commit
|
commitdiff
|
tree
2010-10-01
S
zilard Pall
make install-mdrun
no
w
i
n
stalles shared
lib
s
(
fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szila
r
d Pal
l
F
i
nd
F
FT?[F]
s
cr
i
pts c
a
n
use a path p
r
ovided in F
F
TWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed binary/li
b
su
f
f
ixin
g
inconsistencie
s
(bug
539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard Pall
fixed wa
r
nings cau
s
e
d
by some u
n
initialized var
i
ables
commit
|
commitdiff
|
tree
2010-09-06
S
z
i
lard Pall
Mark adva
n
ced variab
l
es/o
p
tions
tha
t
are not releva
n
t
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilar
d
Pall
Mark advan
c
ed G
M
X_BINARY_SUFFIX and GMX_LIBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szilard P
a
l
l
Updated
list of supported GPUs
commit
|
commitdiff
|
tree
2010-08-31
S
z
ilard Pall
Merge branch 're
l
ease-4
-
5-pa
t
ches'
of git://git
.
g
r
omac
s
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pa
l
l
Improved opt
i
o
n dis
a
bling on switching
t
o OpenMM b
u
ild
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
fixed/im
p
roved cmake FF
T
W3 detection
commit
|
commitdiff
|
tree
2010-08-03
S
zilard Pall
m
inor addition to previus gcc 4
.
1
.
x
disa
b
li
n
g com
m
it
commit
|
commitdiff
|
tree
2010-08-03
Szilard Pall
Removed gcc 4
.
1
.
x chec
k
as b
u
g 431 turned out to be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
rd Pa
l
l
a
d
ditional fix to co
m
mit
c
5d62af07d01b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Sz
i
la
r
d Pa
l
l
M
erge b
r
anch 'master' of git@git
.
gr
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-24
Szil
a
rd P
a
ll
c
m
ake support for user-defined binary prefixes, custom
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
S
zil
a
rd
Pall
Me
r
g
e
branch '
m
aster' of
g
it@git
.
gr
o
macs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szil
a
rd Pall
Fixed GCC
v
ersion
check
i
ng in cmake
commit
|
commitdiff
|
tree
2010-06-17
Szilard
P
all
Merge bra
n
ch
'master'
of git@
g
it
.
gr
o
macs
.
org:gro
m
ac
s
commit
|
commitdiff
|
tree
2010-06-17
Szil
a
rd
P
all
fix
e
d minor
b
ug in openmm_wrapper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard Pall
I
mplemented
(
b
uggy) gcc 4
.
1
.
x ch
e
ck in cma
k
e
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
fi
x
ed warnings in gmx_gpu_utils a
n
d
o
penmm_w
r
a
pp
e
r
commit
|
commitdiff
|
tree
2010-06-10
S
z
ilard Pall
M
e
r
g
e branch 'master' of gi
t
@g
i
t
.
gro
m
a
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szila
r
d
P
all
fixed lo
g
g
i
ng out
p
ut
i
n
d
o_md
_
o
pen
m
m
commit
|
commitdiff
|
tree
2010-06-03
Szilard P
a
ll
Merge b
r
anch 'maste
r
' o
f
gi
t
@
git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilar
d
Pall
Merge
b
ran
c
h
'
m
aster'
o
f git@gi
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
S
zi
l
ard Pall
fixe
d
OpenMM in
t
e
r
ac
t
ion type check
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd
Pall
minor fixes in
d
itribution fi
l
es
commit
|
commitdiff
|
tree
2010-05-31
Szilard
P
all
M
e
rge branch
'
ma
s
t
e
r' of g
i
t@git
.
g
r
omacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-31
Szilard
P
a
ll
Updated REA
D
ME
a
nd INSTALL files, ad
d
e
d
R
EADME-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
ard
P
all
Fixed typo
i
n
CMakeLists for mdrun-gpu
commit
|
commitdiff
|
tree
2010-05-30
Szilard Pall
Open
M
M: add
e
d combinati
o
n rule check, disab
l
ed restra
i
nt
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szil
a
r
d Pall
F
i
x
fo
r
MSVC linking and
release-buil
d
O
penMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szi
l
a
rd
Pal
l
Fixed some comp
i
ler
w
a
r
inigs, mino
r
b
ugs a
n
d
documentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Merge
br
a
n
c
h 'master' of git@git
.
g
r
o
macs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
S
zi
l
a
rd P
a
ll
f
i
xed the PME
t
olerance
"adjustment" for OpenM
M
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pal
l
M
erge branch 'm
a
ster'
of
g
it@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard
Pall
F
ix in o
p
enmm
_
wrapper whic
h
makes it work with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilar
d
Pall
fixed sig
n
al hand
l
ing in md_open
m
m
commit
|
commitdiff
|
tree
2010-05-12
Szilard
Pall
M
erge branch 'm
a
ster' of g
i
t
@git
.
gromacs
.
org:gr
o
mac
s
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
minor fixes in doc
u
mentation + some
d
ebugging c
o
de
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
adde
d
os-specific defines from cm
a
ke requi
r
ed by memtes
t
G80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
MSVC fix for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szil
a
rd Pall
o
n
ly
issu
e
o
p
e
n
m
m
c
onstrints warning
if co
n
stra
i
ns
t
a
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard
P
all
Merge branc
h
'master'
o
f
g
it@gi
t
.
gromacs
.
o
rg:gromacs
commit
|
commitdiff
|
tree
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