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Add freeDeviceBuffer GPU utility function
2018-02-15
Aleksei
I
u
p
i
n
ov
Add freeDevic
e
Bu
f
f
er GPU uti
l
ity func
t
i
o
n
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
Bump
version numbers
for 2019 develo
p
me
n
t
commit
|
commitdiff
|
tree
2017-11-27
Berk Hess
E
nable
a
uto t
h
read
pinnin
g
with thread limitin
g
commit
|
commitdiff
|
tree
2017-11-16
Ber
k
Hess
Also print 1x1 pair-li
s
t
setup
to log
commit
|
commitdiff
|
tree
2017-11-07
S
zi
l
árd P
á
l
l
Use -mavx2 -mf
m
a
instead of -march with
A
VX2
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilárd Páll
Merge common n
b
nxn CUD
A
/OpenC
L
GPU wait c
o
de-paths
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable OpenMP wi
t
h cl
a
ng
3
.
4 post-submit con
f
ig
commit
|
commitdiff
|
tree
2017-10-12
Szilárd P
á
ll
Remove
the size_t from the
PME gather CUDA
k
e
n
els
commit
|
commitdiff
|
tree
2017-10-03
Szil
á
r
d Páll
Enable compiling C
U
D
A
dev
i
ce code with clang
commit
|
commitdiff
|
tree
2017-10-03
Berk
Hess
M
o
ve
calling of special force functio
n
s
commit
|
commitdiff
|
tree
2017-08-29
Szilá
r
d Páll
Fix typo
a
nd twe
a
k env var docs
commit
|
commitdiff
|
tree
2017-08-29
Berk
H
ess
Set de
f
ault GMX_O
P
ENMP_MA
X
_THREADS to 64
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Abr
a
ham
Made
post
-
submit config to t
e
s
t
clan
g
+openmp
.
commit
|
commitdiff
|
tree
2017-07-09
Berk
H
e
ss
Restruc
t
ure the
load balancing timing
commit
|
commitdiff
|
tree
2017-05-22
Rol
a
n
d
S
c
hulz
Remove TMPI_ATOMICS from c
o
n
fig
.
h
commit
|
commitdiff
|
tree
2017-03-29
Szilárd P
á
ll
Re
f
acto
r
C
U
DA
kernel use of
table
s
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
All
o
w bypassing OpenCL
device compatibili
t
y check
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fi
x
multi-domain r
e
r
u
n
s
commit
|
commitdiff
|
tree
2017-01-05
Ber
k
H
e
s
s
Fix flat-bottom posi
t
ion restraints + DD + OpenMP
commit
|
commitdiff
|
tree
2016-12-01
Mark
Abrah
a
m
Add INSTALL
-
dev to aid
p
e
o
p
l
e doin
g
unusual builds
commit
|
commitdiff
|
tree
2016-12-01
Aleksei Iupinov
Move GPU assignme
n
t fun
c
tions into a s
e
parate f
i
le
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
C
orrect kernel
l
aunch bounds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
M
e
rge
"
Me
r
ge br
a
nch rel
e
ase-2016"
commit
|
commitdiff
|
tree
2016-10-26
Szilá
r
d
Páll
A
d
d GMX_
D
ISABLE_GPU_TIMING
env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Corre
c
t kernel l
a
u
nch bounds for
C
UDA
s
m
_60
commit
|
commitdiff
|
tree
2016-09-22
Berk Hess
Fix gc
c
warnin
g
i
n
AlignedAllocator
commit
|
commitdiff
|
tree
2016-08-24
Mark
A
brah
a
m
Remove hacks for outdated BlueGe
n
e sup
p
or
t
commit
|
commitdiff
|
tree
2016-07-05
Szilárd
Páll
Do
c
u
m
e
n
t
GMX_GPU_APPLICATIO
N
_C
L
OCKS
commit
|
commitdiff
|
tree
2016-06-08
M
ar
k
A
b
raham
Me
r
ge b
r
anc
h
release-
5
-1 into r
e
le
a
se-2016
commit
|
commitdiff
|
tree
2016-06-03
Vedran Miletić
Writ
e
OpenCL b
u
ild log prior
to checking build status
commit
|
commitdiff
|
tree
2016-05-10
Ber
k
H
e
ss
Fix CUDA shmem bug
commit
|
commitdiff
|
tree
2016-05-06
Berk
Hess
OpenMP pa
r
allel
i
zati
o
n for pull
commit
|
commitdiff
|
tree
2016-04-26
Vedran
M
i
l
etić
Disabl
e
CUDA pro
f
i
ler
when
usin
g
Ope
n
C
L
commit
|
commitdiff
|
tree
2016-04-26
Szilár
d
Páll
F
ix OpenCL
a
s
s
er
t
ion
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
r
d
P
á
l
l
Spel
l
ing fi
x
es
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Do not create empty man/man7 directory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Pá
l
l
M
a
rk more
v
ari
a
bl
e
s as
advanced
commit
|
commitdiff
|
tree
2016-03-31
Szilár
d
P
áll
F
i
x multi
p
l
e
tMPI
r
a
n
k
s per OpenCL dev
i
ce
commit
|
commitdiff
|
tree
2016-03-22
Berk Hess
Avoid assertion fa
i
lure in pme
_
l
oadb
a
l_do
commit
|
commitdiff
|
tree
2016-03-05
Ma
r
k
Abraham
Add SETTLE unit tests
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
reintroduce
s
upercl interact
i
on mask constant
commit
|
commitdiff
|
tree
2016-02-17
Szil
á
rd Páll
change m
a
cros to consta
n
t
s in
G
P
U
code
commit
|
commitdiff
|
tree
2016-02-15
Szilár
d
Páll
Allow
GMX_NB
_
MIN_CI=0 to be pass
e
d
commit
|
commitdiff
|
tree
2016-02-11
Sz
i
lárd Páll
Re-enable LJ-PME + Lor
e
ntz
-
Berthelot on GPU
s
commit
|
commitdiff
|
tree
2016-02-06
Szilard Pall
Us
e
cudaLaunchKernel
w
i
t
h
CUDA 7
.
0 and l
a
te
r
commit
|
commitdiff
|
tree
2016-01-20
Szilá
r
d Páll
M
erg
e
remote-t
r
acking b
r
anch 'or
i
gin/rele
a
se-5-1' i
n
to
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
Szilard Pall
re
m
ove
d
uplicate macros and enable
W
un
d
ef in
C
UDA
commit
|
commitdiff
|
tree
2015-11-01
Szilar
d
Pall
F
ix
b
u
g in cycle subcounter management
commit
|
commitdiff
|
tree
2015-03-11
Berk H
e
ss
Reduced cos
t
of Berendsen pressu
r
e
c
oupling
commit
|
commitdiff
|
tree
2015-01-16
Sz
i
lard
P
all
Imp
r
ov
e
and clarify
mdrun behavior with ns
t
eps<0
commit
|
commitdiff
|
tree
2014-09-26
Szi
l
árd Pá
l
l
Fix in
c
o
rrect ass
e
rt
i
on sta
t
em
e
nt
commit
|
commitdiff
|
tree
2014-09-09
Szilárd Páll
Fix ma
l
formed CUDA
v
er
s
ion
m
a
c
ro che
c
k
commit
|
commitdiff
|
tree
2014-07-27
Roland S
c
h
u
l
z
Re
m
ove ind
i
vidual cuda libra
r
ies
commit
|
commitdiff
|
tree
2014-06-17
Be
r
k Hess
Upda
t
ed mdrun
-np
m
e doc
u
m
e
ntation
commit
|
commitdiff
|
tree
2014-05-24
Ro
s
sen
A
p
o
s
t
o
l
o
v
Allow trjconv to ke
e
p s
o
me
b
o
x
d
ime
n
si
o
ns unc
h
anged
.
commit
|
commitdiff
|
tree
2014-02-28
Szilar
d
Pall
Improved CUDA
n
o
n
-bonded kernel performance
commit
|
commitdiff
|
tree
2013-01-19
Rola
n
d Schul
z
F
i
x AVX double comp
i
le error
commit
|
commitdiff
|
tree
2013-01-17
Sz
i
lárd Páll
use the comp
i
ler versi
o
n provided by CMake >=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szi
l
ár
d
Páll
note th
e
reason for
auto-di
s
abling GPU
support in
C
Make
commit
|
commitdiff
|
tree
2013-01-17
S
zilárd Páll
c
larify word
i
n
g of GPU dr
i
ver-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szilár
d
Páll
di
s
able OpenMP with all OS X gcc 4
.
2
-
based compilers
commit
|
commitdiff
|
tree
2012-11-18
Rolan
d
S
c
hulz
Fix GMX_TEST_CFLAG bu
g
with accelera
t
io
n
flags
commit
|
commitdiff
|
tree
2012-11-18
Roland
S
chulz
Fix bu
g
s in gmx
C
Flags
commit
|
commitdiff
|
tree
2012-10-25
S
zilárd
P
áll
fix fals
e
positive gcc 4
.
7
warnin
g
in libxd
r
f
commit
|
commitdiff
|
tree