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Clean up initial log output
2018-11-26
Mark Abraham
C
l
ean
u
p
i
n
itia
l
log output
commit
|
commitdiff
|
tree
2018-11-22
Mark Abr
a
h
am
Intr
o
duce
P
pFo
r
ce
W
or
k
load
commit
|
commitdiff
|
tree
2018-11-07
Szilárd
P
á
l
l
R
e-enable the arm
c
lang pos
t
-su
b
mit bu
i
l
d
commit
|
commitdiff
|
tree
2018-11-07
Mark Abraham
S
u
ppress clan
g
warnings abou
t
Q
MMM code
commit
|
commitdiff
|
tree
2018-11-01
Mark Abraham
Stop using hwloc on old ARM slave
commit
|
commitdiff
|
tree
2018-10-31
Berk Hess
Pin
i
mport
a
nt buf
f
e
rs
i
n CUDA bo
n
deds
commit
|
commitdiff
|
tree
2018-10-14
Szilár
d
P
áll
Fix more clang-6 w
a
r
n
ings in CUD
A
code
commit
|
commitdiff
|
tree
2018-10-08
Roland S
c
hulz
Fix OCL c
o
mp
i
ler warnin
g
s
commit
|
commitdiff
|
tree
2018-10-08
Rol
a
nd Schulz
Remove ma
j
ority of OCL comma
n
d li
n
e
co
n
s
tants
commit
|
commitdiff
|
tree
2018-10-07
Szilárd Páll
Use new GP
U
slave for AMD OpenCL verify
runs
commit
|
commitdiff
|
tree
2018-10-05
Roland Sc
h
u
lz
Fix mu
l
tiple bugs de
t
ected on Windo
w
s
commit
|
commitdiff
|
tree
2018-10-04
R
o
land
S
chulz
Use subgroup for warp_
a
n
y
a
nd
C
J4 pre
f
etch
commit
|
commitdiff
|
tree
2018-10-04
M
a
rk Abraham
Replace CUD
A
call de
p
recate
d
in CUDA
10
commit
|
commitdiff
|
tree
2018-09-27
Roland Schulz
Re
c
ognize Intel GPU
a
s
comp
a
tible
commit
|
commitdiff
|
tree
2018-09-13
Rolan
d
Schulz
Remove sparc6
4
_h
p
c_ac
e
n
onbonded kernels
commit
|
commitdiff
|
tree
2018-09-07
M
ar
k
Abr
a
ham
Mino
r
fixes to
GPU build sy
s
tem
commit
|
commitdiff
|
tree
2018-08-27
Aleksei I
u
pinov
Prepare pme-gp
u
-types
.
h for OpenC
L
commit
|
commitdiff
|
tree
2018-08-21
Szilárd P
á
ll
R
e
quest
f
lushi
n
g denorms
t
o zero in OpenC
L
commit
|
commitdiff
|
tree
2018-06-25
Aleksei Iupin
o
v
Mo
v
e v
e
ctyp
e
_ops
.
cl
h
into gpu_uti
l
s
commit
|
commitdiff
|
tree
2018-06-25
Ale
k
s
e
i Iupin
o
v
Move the PM
E
GPU
kernel laun
c
h
functions into
pme-
g
p
u
.
.
.
commit
|
commitdiff
|
tree
2018-05-31
Aleks
e
i Iupino
v
PME OpenCL 3D FFT trans
f
orm is im
p
lemented
,
using
cl
F
FT
commit
|
commitdiff
|
tree
2018-05-30
Aleksei
Iupinov
Make PM
E
G
P
U
structures use
De
v
iceBu
f
fer
commit
|
commitdiff
|
tree
2018-05-29
Szilárd
Páll
Switch to CUDA 9
.
2 +
gcc 7
commit
|
commitdiff
|
tree
2018-04-20
Sz
i
lár
d
Páll
Minor fix f
o
r pre-submit
m
a
t
rix docs
commit
|
commitdiff
|
tree
2018-04-19
Szi
l
árd Páll
M
o
ve the PME GPU clearing to the end of t
h
e
step
commit
|
commitdiff
|
tree
2018-04-18
Ma
r
k Abraham
Introduce
g
mx_used_in_
d
ebug
commit
|
commitdiff
|
tree
2018-04-13
Szil
á
rd Páll
Us
e
t
r
iva
l
ue optio
n
for
G
MX
_
HWLOC
commit
|
commitdiff
|
tree
2018-03-20
Vedran Miletić
Document mat
r
ix_c
o
n
v
ert fun
c
tion in
P
BC
commit
|
commitdiff
|
tree
2018-03-12
Szilárd P
á
ll
Av
o
id
i
c
c
-spec
i
fic
-marc
h
=core-avx2 fla
g
with gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd Páll
E
xt
e
nd "Find
i
ng out how to ru
n
m
d
run better" section
commit
|
commitdiff
|
tree
2018-03-06
Al
e
kse
i
Iupi
n
ov
Iso
l
a
t
e PME GPU spline
p
aram
e
ter indexing
i
n
i
n
lin
e
.
.
.
commit
|
commitdiff
|
tree
2018-03-05
Aleksei Iupinov
Stop using
c
ustom FindOpe
n
CL
.
cm
a
k
e, per TODO
commit
|
commitdiff
|
tree
2018-03-05
Aleksei Iu
p
ino
v
Correct the nbnxn_gp
u
_compil
e
_kernels() docs
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Páll
Sw
i
tch pre-submit CUDA 8
.
0
t
es
t
to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd
Páll
Avo
i
d abor
t
ing mdrun when GPU sanity ch
e
c
k de
t
ects
.
.
.
commit
|
commitdiff
|
tree
2018-02-18
Alekse
i
Iupinov
R
eplac
e
*_free_buffe
r
ed calls by
f
reeDeviceBu
f
fer
commit
|
commitdiff
|
tree
2018-02-15
Ale
k
sei Iupinov
Add
f
reeD
e
viceBuffer GPU utility
function
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
Bump ver
s
ion numbers for
2019 development
commit
|
commitdiff
|
tree
2017-11-27
Berk Hess
En
a
ble auto thread pinning with thr
e
ad limitin
g
commit
|
commitdiff
|
tree
2017-11-16
Berk Hess
Also prin
t
1x1
pair-list setup to log
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
árd Páll
Use -m
a
vx2 -mfma instead of
-
march with AVX
2
commit
|
commitdiff
|
tree
2017-11-07
S
z
i
l
árd Páll
Merge common nbnxn CUDA/Op
e
nCL GPU wait
c
ode-paths
commit
|
commitdiff
|
tree
2017-10-19
Szil
á
rd
P
ál
l
Disable Open
M
P wit
h
cla
n
g 3
.
4 post-submit
c
onfig
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
R
e
mo
v
e the size_
t
f
r
om the PME gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-03
S
z
ilárd Páll
Ena
b
l
e co
m
piling CUDA
d
evice c
o
de
with clang
commit
|
commitdiff
|
tree
2017-10-03
Ber
k
Hess
M
o
v
e callin
g
of spe
c
ial force
f
u
n
ctions
commit
|
commitdiff
|
tree
2017-08-29
Sz
i
lárd Páll
Fi
x
typo and
t
weak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Berk Hess
S
et defau
l
t
GMX_OPENMP_MAX_T
H
R
EADS to 6
4
commit
|
commitdiff
|
tree
2017-07-19
M
ark
A
braham
Made
p
ost-subm
i
t config t
o
te
s
t
c
lang+openmp
.
commit
|
commitdiff
|
tree
2017-07-09
Be
r
k
Hess
Re
s
t
r
uctu
r
e the load balanc
i
ng timing
commit
|
commitdiff
|
tree
2017-05-22
Roland Schulz
R
e
m
o
ve T
M
PI_A
T
OM
I
CS from conf
i
g
.
h
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refacto
r
CUDA kern
e
l use o
f
tab
l
es
commit
|
commitdiff
|
tree
2017-03-17
Szi
l
á
r
d
P
áll
A
l
l
ow bypass
i
ng OpenCL device
c
ompatibility c
h
eck
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
F
ix
m
u
lti-domain reruns
commit
|
commitdiff
|
tree
2017-01-05
Berk H
e
ss
Fi
x
flat-bottom pos
i
t
i
on restraints + DD
+ OpenMP
commit
|
commitdiff
|
tree
2016-12-01
Ma
r
k
Ab
r
aham
Add INSTALL-dev
t
o
a
i
d p
e
o
ple
doing
unusual builds
commit
|
commitdiff
|
tree
2016-12-01
A
le
k
sei Iupinov
Move GPU
a
s
sig
n
ment
functions into a sepa
r
at
e
file
commit
|
commitdiff
|
tree
2016-11-17
Szilár
d
Páll
Co
r
r
ect kernel launch
b
oun
d
s
f
or
CUDA sm
_
60
commit
|
commitdiff
|
tree
2016-11-01
S
z
i
l
á
r
d
Páll
Mer
g
e "Merge
b
r
a
nch release-2016
"
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Páll
Add GMX_DISABL
E
_G
P
U_TIMING en
v
var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd
Páll
Correct
k
ernel launch bounds for CUDA sm
_
60
commit
|
commitdiff
|
tree
2016-09-22
Berk Hess
Fix
gcc warning
i
n
A
lignedAllocator
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remove hacks for out
d
ated BlueGene supp
o
r
t
commit
|
commitdiff
|
tree
2016-07-05
Sz
i
lárd
P
á
l
l
Doc
u
m
e
nt GMX_GPU_
A
PP
L
ICAT
I
ON_CLOCKS
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
Merge branch release-5-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2016-06-03
Vedra
n
Miletić
Write OpenCL bui
l
d log
p
rio
r
t
o
check
i
ng build status
commit
|
commitdiff
|
tree
2016-05-10
Berk He
s
s
Fix CUDA
shmem
bug
commit
|
commitdiff
|
tree
2016-05-06
Berk
H
e
s
s
OpenM
P
pa
r
all
e
lization f
o
r
pull
commit
|
commitdiff
|
tree
2016-04-26
Vedran Mile
t
ić
Disable CUDA
p
rofiler when
using OpenCL
commit
|
commitdiff
|
tree
2016-04-26
S
z
ilárd Pá
l
l
Fix Op
e
nCL
assert
i
on
commit
|
commitdiff
|
tree
2016-04-13
Sz
i
l
á
rd Páll
Spelling fixes
commit
|
commitdiff
|
tree
2016-04-13
Szi
l
árd Páll
Do not create empty man/man7 d
i
recto
r
y
commit
|
commitdiff
|
tree
2016-04-04
Szilár
d
Páll
Ma
r
k more variables as advanced
commit
|
commitdiff
|
tree
2016-03-31
S
z
i
l
árd Páll
F
i
x multip
l
e tMPI ranks
p
er O
p
enCL device
commit
|
commitdiff
|
tree
2016-03-22
Berk
H
ess
Avoid asse
r
tion
f
ailure in pm
e
_lo
a
dbal_do
commit
|
commitdiff
|
tree
2016-03-05
Mark Abraham
Add SETTL
E
uni
t
tests
commit
|
commitdiff
|
tree
2016-02-17
S
z
ilárd Páll
reintroduc
e
supe
r
cl
int
e
raction mask constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
c
hange ma
c
ro
s
t
o
c
onstant
s
in
G
PU
c
ode
commit
|
commitdiff
|
tree
2016-02-15
Szilá
r
d Páll
All
o
w G
M
X_N
B
_
M
IN_CI=0 to be passe
d
commit
|
commitdiff
|
tree
2016-02-11
Szilárd Páll
Re-e
n
able
L
J-
P
ME
+ Lorentz-Berthelot
on GPUs
commit
|
commitdiff
|
tree
2016-02-06
Szilar
d
Pall
Us
e
cudaLaunchKernel wit
h
CUDA 7
.
0 and later
commit
|
commitdiff
|
tree
2016-01-20
S
z
ilárd
P
áll
Merge
r
emote-tracking bran
c
h 'origin/
r
elease-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
S
zila
r
d
Pall
re
m
ove duplicate macro
s
and
e
nable Wundef in CUD
A
commit
|
commitdiff
|
tree
2015-11-01
Szilard P
a
ll
Fi
x
bug in cycl
e
subcou
n
ter
ma
n
agem
e
nt
commit
|
commitdiff
|
tree
2015-03-11
Ber
k
Hess
R
ed
u
ced cost of Berendsen
pressure coupling
commit
|
commitdiff
|
tree
2015-01-16
Szilar
d
Pal
l
Im
p
rov
e
and clarify mdrun behavior wit
h
nsteps<
0
commit
|
commitdiff
|
tree
2014-09-26
Szilárd Páll
Fix incorrect assertion statem
e
nt
commit
|
commitdiff
|
tree
2014-09-09
Szilá
r
d Páll
Fix malforme
d
C
U
D
A ve
r
sion macro check
commit
|
commitdiff
|
tree
2014-07-27
Roland Schu
l
z
R
e
m
ove individual c
u
da libraries
commit
|
commitdiff
|
tree
2014-06-17
Berk Hess
U
p
dated
mdr
u
n -npm
e
documenta
t
ion
commit
|
commitdiff
|
tree
2014-05-24
Ros
s
en Apostolov
Allow trjconv to keep some box dimensions unchanged
.
commit
|
commitdiff
|
tree
2014-02-28
Szila
r
d
P
all
Improv
e
d CUDA non-b
o
nded kernel perfor
m
ance
commit
|
commitdiff
|
tree
2013-01-19
Rola
n
d Schul
z
F
i
x AVX
d
ouble co
m
pile error
commit
|
commitdiff
|
tree
2013-01-17
S
z
i
l
árd Páll
use t
h
e compi
l
e
r
v
ersion
provi
d
ed by CMak
e
>=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd P
á
ll
note
t
he reason for au
t
o-disabling GPU suppo
r
t
i
n CMake
commit
|
commitdiff
|
tree
2013-01-17
S
zilárd Páll
cl
a
rify w
o
rdi
n
g of GPU
driver-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szilá
r
d Páll
disab
l
e
O
pe
n
MP with
a
ll
O
S
X gcc 4
.
2-base
d
compilers
commit
|
commitdiff
|
tree
2012-11-18
R
oland Schulz
Fi
x
GMX_TEST_CFL
A
G bug with ac
c
elerati
o
n
f
lags
commit
|
commitdiff
|
tree
2012-11-18
R
o
l
and Schulz
Fix
bugs
i
n gmxCFlags
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Páll
fix false posit
i
ve gcc 4
.
7
w
arning in libxdr
f
commit
|
commitdiff
|
tree