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Made post-submit config to test clang+openmp.
2017-07-19
Ma
r
k Abr
a
ham
M
ade
p
o
st-sub
m
it c
o
nfig to te
s
t clang+op
e
nmp
.
commit
|
commitdiff
|
tree
2017-07-09
Berk Hess
Re
s
tru
c
t
u
re the lo
a
d balancing timi
n
g
commit
|
commitdiff
|
tree
2017-05-22
Roland Sc
h
ulz
Remove
TMPI
_
A
T
OMICS
from config
.
h
commit
|
commitdiff
|
tree
2017-03-29
Szilár
d
Páll
Re
f
a
ctor CUDA kernel use of
t
a
bles
commit
|
commitdiff
|
tree
2017-03-17
Szi
l
árd Páll
Allow
b
ypa
s
sing OpenCL dev
i
ce
c
o
mpatibility check
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk
A
b
r
aham
Fix mu
l
ti
-
dom
a
in reruns
commit
|
commitdiff
|
tree
2017-01-05
Be
r
k
Hess
Fix fla
t
-bottom
po
s
ition
restraints +
D
D + OpenMP
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Add I
N
STALL
-
dev to aid
p
e
o
p
le d
o
i
n
g unusual buil
d
s
commit
|
commitdiff
|
tree
2016-12-01
Ale
k
sei
I
u
p
inov
Move
G
PU assignment funct
i
ons into a s
e
parate file
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Correct kern
e
l launc
h
bounds for CUDA
s
m_
6
0
commit
|
commitdiff
|
tree
2016-11-01
Szi
l
á
r
d Páll
Me
r
ge "Me
r
ge branch rel
e
ase-2016"
commit
|
commitdiff
|
tree
2016-10-26
S
z
il
á
rd Páll
A
dd
GMX_DISA
B
L
E_GPU_TIMING e
n
v var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
C
o
r
re
c
t
kernel laun
c
h bounds fo
r
CUDA sm_60
commit
|
commitdiff
|
tree
2016-09-22
Berk Hess
Fi
x
gcc warning in AlignedAllocato
r
commit
|
commitdiff
|
tree
2016-08-24
M
a
rk Abraham
Remove ha
c
ks for
o
ut
d
ated BlueGene sup
p
or
t
commit
|
commitdiff
|
tree
2016-07-05
Szi
l
árd
Páll
Do
c
ume
n
t GMX_GPU_
A
PPLICA
T
ION
_
CLOCKS
commit
|
commitdiff
|
tree
2016-06-08
Ma
r
k A
b
raham
Merge br
a
nch release
-
5-1 i
n
to r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-03
Vedran Mil
e
tić
W
rite
OpenCL buil
d
log prior t
o
c
h
e
cking bu
i
l
d status
commit
|
commitdiff
|
tree
2016-05-10
Be
r
k Hess
Fi
x
CUD
A
shmem bug
commit
|
commitdiff
|
tree
2016-05-06
Berk He
s
s
OpenM
P
parallelizat
i
o
n for
pull
commit
|
commitdiff
|
tree
2016-04-26
V
e
dran Mil
e
ti
ć
Disable CUDA pro
f
iler
w
h
e
n usin
g
O
p
enCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Pá
l
l
Fix O
p
enCL assertio
n
commit
|
commitdiff
|
tree
2016-04-13
S
z
ilárd Páll
Spellin
g
fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Do not cre
a
te empty
m
an/man7 directory
commit
|
commitdiff
|
tree
2016-04-04
S
z
i
lárd Páll
Mark mo
r
e
v
ariables as advan
c
ed
commit
|
commitdiff
|
tree
2016-03-31
Szil
á
r
d Páll
F
i
x multiple tMPI
ranks
p
er OpenCL device
commit
|
commitdiff
|
tree
2016-03-22
Berk Hess
A
vo
i
d a
s
sert
i
on
fai
l
u
re in pme_load
b
al_do
commit
|
commitdiff
|
tree
2016-03-05
Mark A
b
raham
Ad
d
SETTLE
u
ni
t
t
ests
commit
|
commitdiff
|
tree
2016-02-17
S
z
i
l
á
rd Páll
reintroduce supercl interaction mask
constant
commit
|
commitdiff
|
tree
2016-02-17
S
zilárd Páll
change ma
c
ros to
consta
n
t
s
i
n GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd
P
á
ll
Allow
GMX_NB_
M
IN_CI=0 to be pass
e
d
commit
|
commitdiff
|
tree
2016-02-11
Szilárd Pá
l
l
Re-
e
nable
LJ
-
PME
+ Lorentz
-
Berthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-06
S
zilard Pall
Use cudaLa
u
nchKern
e
l with
CUDA
7
.
0 an
d
later
commit
|
commitdiff
|
tree
2016-01-20
Szilárd Páll
M
erg
e
r
e
m
ote
-
t
r
acking branch 'origin/rele
a
s
e
-
5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
Szilard Pall
remo
v
e
d
u
p
l
icate macros an
d
e
nable
Wund
e
f
in
CUDA
commit
|
commitdiff
|
tree
2015-11-04
Szilard Pall
Tweak NVML-rel
a
t
e
d messages
commit
|
commitdiff
|
tree
2015-11-01
Sz
i
l
ard Pall
Fix bug
in cyc
l
e subcounter mana
g
ement
commit
|
commitdiff
|
tree
2015-10-15
Szila
r
d Pall
Fix reset er
r
o
r mes
s
age
commit
|
commitdiff
|
tree
2015-09-17
Szilard Pall
Fix broken
O
penCL
d
etection
commit
|
commitdiff
|
tree
2015-06-29
Szi
l
ard Pall
Fix CUDA inter-stre
a
m
synchroniza
t
io
n
is
s
ue
commit
|
commitdiff
|
tree
2015-06-17
Szilard Pall
fix minor CUDA NB kernel perfor
m
ance re
g
ression
commit
|
commitdiff
|
tree
2015-06-08
S
z
ilard P
a
ll
add last
two GROMACS paper citations
commit
|
commitdiff
|
tree
2015-05-14
Sz
i
lard Pall
Me
r
ge rel
e
a
s
e-
4
-6 into release-5-0
commit
|
commitdiff
|
tree
2015-03-11
Berk Hess
Reduced c
o
st
of Berends
e
n pressure coupling
commit
|
commitdiff
|
tree
2015-01-16
Szi
l
ard Pall
Improve and
c
larify
m
drun behavior with ns
t
eps<0
commit
|
commitdiff
|
tree
2014-12-10
S
zilard
P
al
l
Fix ns
t
ep co
m
mand
l
ine override
p
rint
commit
|
commitdiff
|
tree
2014-11-14
Sz
i
lá
r
d Páll
Start
nvprof pro
f
iling at cou
n
ter
r
eset
commit
|
commitdiff
|
tree
2014-07-27
R
ol
a
nd
S
chul
z
Remove indi
v
idual cuda
lib
r
aries
commit
|
commitdiff
|
tree
2014-06-17
Berk Hes
s
Updated mdrun
-
n
p
me documentatio
n
commit
|
commitdiff
|
tree
2014-05-24
R
o
s
sen
Apo
s
tolov
Allow trjcon
v
to keep s
o
me box di
m
ensio
n
s
uncha
n
ged
.
commit
|
commitdiff
|
tree
2014-02-28
Szilard Pall
Improved C
U
DA non-bonded
k
ernel perform
a
nce
commit
|
commitdiff
|
tree