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Add freeDeviceBuffer GPU utility function
2018-02-15
Aleksei
Iu
p
in
o
v
Ad
d
freeDeviceBuffer GP
U
utility f
u
nction
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraha
m
Bump version numbers
f
o
r 20
1
9 development
commit
|
commitdiff
|
tree
2017-11-27
B
e
rk Hess
En
a
ble auto thread pinning with thread limiting
commit
|
commitdiff
|
tree
2017-11-16
Ber
k
Hess
A
l
so print 1
x
1 p
a
ir-
l
i
s
t setup to log
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd Páll
Use -
m
a
v
x2 -mfma inst
e
ad of
-march
wi
t
h AVX2
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lá
r
d Páll
Merge comm
o
n nbnxn CUDA/OpenCL GPU wait cod
e
-paths
commit
|
commitdiff
|
tree
2017-10-19
Szi
l
árd Páll
D
isable OpenMP w
i
th cla
n
g
3
.
4
p
ost-su
b
m
i
t config
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Remove the si
z
e_t
from th
e
PME gather CUDA ken
e
ls
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Enable compiling CUDA device
c
ode with c
l
a
ng
commit
|
commitdiff
|
tree
2017-10-03
Berk Hess
Move calli
n
g of
s
pecial fo
r
ce functi
o
ns
commit
|
commitdiff
|
tree
2017-08-29
S
zilárd Páll
Fix typo and tweak
e
nv var docs
commit
|
commitdiff
|
tree
2017-08-29
Berk
Hess
Set defa
u
l
t
GMX
_
OPENMP_MAX_TH
R
E
AD
S
to 64
commit
|
commitdiff
|
tree
2017-07-19
M
a
r
k Abraham
Made post-submit config to t
e
st
clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-09
B
erk Hess
Restructure the
lo
a
d bal
a
n
cing t
i
ming
commit
|
commitdiff
|
tree
2017-05-22
Roland Sch
u
lz
R
emove TMPI_ATOMICS from config
.
h
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refac
t
or CUDA
kernel use of
t
ables
commit
|
commitdiff
|
tree
2017-03-17
Szil
á
r
d
Páll
Allow bypassin
g
OpenCL
dev
i
c
e
com
p
atibil
i
ty check
commit
|
commitdiff
|
tree
2017-01-30
M
ark Abr
a
h
am
Fix mult
i
-domain re
r
u
ns
commit
|
commitdiff
|
tree
2017-01-05
B
erk H
e
s
s
Fix flat
-
bottom posit
i
on
restraints + DD
+
Ope
n
MP
commit
|
commitdiff
|
tree
2016-12-01
Mark Abr
a
ham
Add I
N
S
T
ALL-
d
e
v
t
o
aid
p
eople do
i
n
g unusual
b
uilds
commit
|
commitdiff
|
tree
2016-12-01
Alekse
i
Iupinov
Mov
e
GPU
a
s
signment
functio
n
s int
o
a separat
e
fi
l
e
commit
|
commitdiff
|
tree
2016-11-17
Szilár
d
Pál
l
Cor
r
ect
kernel la
u
nch bo
u
nds for CUDA
s
m_6
0
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
M
erge "Merge branch release-
2
016"
commit
|
commitdiff
|
tree
2016-10-26
Sz
i
lárd Páll
Ad
d
GMX_DISABLE_GP
U
_TIM
I
NG
env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd
P
áll
Correct kernel launch bou
n
ds f
o
r
CUDA
sm_
6
0
commit
|
commitdiff
|
tree
2016-09-22
Berk
Hess
Fix
g
cc
w
arni
n
g in Al
i
gnedAlloc
a
t
o
r
commit
|
commitdiff
|
tree
2016-08-24
Mark
Abraha
m
Remove hacks for o
u
tdated BlueGene support
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Pá
l
l
Doc
u
ment GMX_GP
U
_AP
P
LICATION
_
CLOCKS
commit
|
commitdiff
|
tree
2016-06-08
M
ark Abr
a
ham
M
erge b
r
anch
r
elease-5-1 into r
e
lea
s
e-2016
commit
|
commitdiff
|
tree
2016-06-03
V
e
dran Milet
i
ć
Write OpenCL build
log
p
rior to
checki
n
g build s
t
atus
commit
|
commitdiff
|
tree
2016-05-10
Berk Hess
Fix CUDA
shmem bug
commit
|
commitdiff
|
tree
2016-05-06
Berk Hes
s
OpenMP parallel
i
zation
f
o
r
pull
commit
|
commitdiff
|
tree
2016-04-26
Vedran Miletić
Disable
C
UDA profiler when
u
sing OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilá
r
d Páll
Fix
O
penCL assertio
n
commit
|
commitdiff
|
tree
2016-04-13
S
z
i
lár
d
Páll
Sp
e
l
l
ing fixes
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
r
d
Páll
Do
not cr
e
a
te empty man/man7
directory
commit
|
commitdiff
|
tree
2016-04-04
Szil
á
rd Páll
Mark more variables as ad
v
a
n
c
e
d
commit
|
commitdiff
|
tree
2016-03-31
S
zilárd
Páll
Fix multiple tMPI ranks pe
r
Ope
n
CL device
commit
|
commitdiff
|
tree
2016-03-22
Ber
k
Hess
Avoid a
s
serti
o
n failure i
n
pme_loadbal_do
commit
|
commitdiff
|
tree
2016-03-05
Mark A
b
raha
m
A
d
d SET
T
LE unit tests
commit
|
commitdiff
|
tree
2016-02-17
Sz
i
l
á
r
d Páll
reintr
o
duce supercl interaction ma
s
k
constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
chang
e
macros to cons
t
ants in GPU
co
d
e
commit
|
commitdiff
|
tree
2016-02-15
Szilárd
Páll
Allo
w
GMX_NB
_
MI
N
_CI=0 to be
p
assed
commit
|
commitdiff
|
tree
2016-02-11
Szilárd Páll
R
e
-e
n
able LJ-PME +
L
orentz-Berthelo
t
o
n
G
PUs
commit
|
commitdiff
|
tree
2016-02-06
Szilard Pall
Use cudaLau
n
chKern
e
l with CUD
A
7
.
0 and later
commit
|
commitdiff
|
tree
2016-01-20
Szilá
r
d Páll
Me
r
g
e re
m
ote-tra
c
k
i
ng branch 'o
r
igin/rele
a
se-5-1'
i
nto
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
Szilard Pall
r
e
mov
e
duplicate macr
o
s and
en
a
ble Wundef in CUDA
commit
|
commitdiff
|
tree
2015-11-04
S
z
ilard
P
all
Tweak NVML-related messag
e
s
commit
|
commitdiff
|
tree
2015-11-01
S
zilard Pall
Fix
b
u
g in cycle subco
u
nter ma
n
agem
e
nt
commit
|
commitdiff
|
tree
2015-10-15
Szilard P
a
ll
Fi
x
reset e
r
ror m
e
ssage
commit
|
commitdiff
|
tree
2015-09-17
Szilard P
a
ll
Fix broken
OpenC
L
detection
commit
|
commitdiff
|
tree
2015-06-29
S
zilar
d
P
a
ll
F
i
x CUD
A
i
n
ter-strea
m
synchronizati
o
n
issue
commit
|
commitdiff
|
tree
2015-06-17
S
zilard Pal
l
fix minor CUDA NB kernel
p
erfo
r
ma
n
ce regression
commit
|
commitdiff
|
tree
2015-06-08
Szilard Pall
add
l
ast two GROMACS p
a
per
c
itatio
n
s
commit
|
commitdiff
|
tree
2015-05-14
Szilard Pall
Mer
g
e re
l
ease-4-6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2015-03-11
Ber
k
He
s
s
Red
u
ced cost of Bere
n
dsen pr
e
ssure coupling
commit
|
commitdiff
|
tree
2015-01-16
Szi
l
ard Pall
Improve a
n
d clarify
mdrun be
h
avior wi
t
h
nsteps<0
commit
|
commitdiff
|
tree
2014-12-10
Szilard Pall
F
i
x nst
e
p
c
o
mma
n
d line o
v
erride print
commit
|
commitdiff
|
tree
2014-11-14
Szi
l
ár
d
Páll
St
a
r
t
nvprof profiling at co
u
nter reset
commit
|
commitdiff
|
tree
2014-07-27
Roland Schulz
R
e
move individual cuda
l
ib
r
a
ries
commit
|
commitdiff
|
tree
2014-06-17
Berk Hess
U
p
date
d
m
drun -npme documentation
commit
|
commitdiff
|
tree
2014-05-24
Rossen Apos
t
ol
o
v
Allow t
r
j
c
onv to keep some b
o
x dimen
s
ions unch
a
nged
.
commit
|
commitdiff
|
tree
2014-02-28
Szila
r
d Pal
l
Improved CUDA no
n
-
bon
d
e
d
kernel perfo
r
mance
commit
|
commitdiff
|
tree