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Refactor error handling in init_gpu
2017-07-07
Mark Abraham
Re
f
actor error handl
i
ng in init_gpu
commit
|
commitdiff
|
tree
2017-07-04
Mark
Abr
a
ham
Clea
n
up
pick
_
nbnxn_r
e
sour
c
es
commit
|
commitdiff
|
tree
2017-07-01
Mark A
b
raha
m
Cleaned up GPU em
u
lation logic
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtola
Fix b
o
o
lean serializa
t
ion
commit
|
commitdiff
|
tree
2017-06-30
Teem
u
Murtola
Extend
k
e
y
-va
l
ue tree
comparison and tests
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk Abraham
C
lea
n
ed up high-leve
l
boolean variable naming
commit
|
commitdiff
|
tree
2017-06-28
Mark Ab
r
aham
Merge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-06-27
Teemu Mu
r
t
o
la
Do n
o
t use conf-man
.
p
y
f
o
r
non-
m
anpag
e
d
oc build
s
commit
|
commitdiff
|
tree
2017-06-27
Mark A
b
raham
Mino
r
improvemen
t
s to t
e
st configs
commit
|
commitdiff
|
tree
2017-06-26
E
r
ik Lindahl
F
ix ARM N
E
ON simd d
e
bug buil
d
s
commit
|
commitdiff
|
tree
2017-06-26
Szil
á
rd
Páll
Add ARM_NEO
N
_ASIMD
p
os
t
-su
b
m
i
t
test
commit
|
commitdiff
|
tree
2017-06-26
Ji
r
i Kraus
Updated application c
l
oc
k
han
d
ling on Pascal+ GPUs
commit
|
commitdiff
|
tree
2017-06-22
Mark Ab
r
aham
Co
n
solidated
l
ogic for choosing number o
f
thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk
A
brah
a
m
Repla
c
e misnamed nbnxn_gpu_acce
l
e
ratio
n
_supp
o
r
t
e
d
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Co
n
solidate and fix logic
f
or md
r
un
-nb and -gpui
d
commit
|
commitdiff
|
tree
2017-06-21
Szilárd
Páll
Re-enable
lost DD warning + min
o
r code modernization
commit
|
commitdiff
|
tree
2017-06-21
Mark
Abra
h
am
Ref
o
r
m ngpu v
a
r
iable
commit
|
commitdiff
|
tree
2017-06-21
Mark
Abra
h
am
Remov
e
bUserSetGpuIds field
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraha
m
Move gm
x
_parse_
g
pu_id out of checking f
u
nc
t
i
o
n
commit
|
commitdiff
|
tree
2017-06-12
A
leks
e
i Iup
i
nov
Sto
r
e a phy
s
ical node commu
n
ica
t
or in
t_c
o
mmr
e
c
commit
|
commitdiff
|
tree
2017-06-11
Magnus
L
undborg
Upda
t
e
d TNG to versio
n
1
.
8
commit
|
commitdiff
|
tree
2017-05-31
Ma
r
k Abr
a
ham
New quote
commit
|
commitdiff
|
tree
2017-05-29
T
e
emu Murtola
Avoid some
i
n
corre
c
t
behavior with gmx so
l
v
ate
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murtola
Remove pb
c
u
til <-> mdtypes c
y
cl
i
c dependency
commit
|
commitdiff
|
tree
2017-05-29
Vedran
Mile
t
i
ć
Standardize use
of |Gromacs| in reST docs
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
Test i
n
vsix
t
h
r
o
ot
function as intended
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk Abraham
Updated use of compiler specifiers in testing
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated use of gcc-5 spec
i
fiers
commit
|
commitdiff
|
tree
2017-05-15
Ma
r
k Abraham
U
p
date clang static
analyzer
s
lave to use v
e
rsion 4
commit
|
commitdiff
|
tree
2017-05-14
M
ark Abra
h
am
Update
clang-4
commit
|
commitdiff
|
tree
2017-05-14
Justin Lemku
l
Clarifications to editconf help text
.
commit
|
commitdiff
|
tree
2017-05-14
Just
i
n
L
emkul
C
l
a
rification
s
t
o
editconf
help text
.
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Fix for
m
atting of MKL cm
a
k
e docs
commit
|
commitdiff
|
tree
2017-05-09
Mark
A
br
a
ham
Merge
b
r
anch release-
2
016
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abraha
m
Clea
n
ed
u
p
m
e
mo
r
y usage
in gmx traj and
t
rjconv
commit
|
commitdiff
|
tree
2017-04-19
Berk H
e
ss
Fix unused S
I
MD
P
M
E
t
a
ble kernel
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Minor chan
g
e to
GPU compatibility
r
eporting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Propose a post-submi
t
matrix
commit
|
commitdiff
|
tree
2017-04-17
T
e
emu Murtola
C
onsistent approach for whol
e
-program tests
commit
|
commitdiff
|
tree
2017-03-31
Ma
r
k Abraham
Merge branch
r
eleas
e
-2016
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add s
e
ction to
u
ser guide for managi
n
g simulations
commit
|
commitdiff
|
tree
2017-03-17
M
.
Eric
I
rr
g
ang
Add
a
n
extra ve
r
bose
target for docs
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Pál
l
Print code of unknown O
p
e
nCL
e
r
ror
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Merg
e
branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraha
m
Bumped versi
o
n to
p
repar
e
for next patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Ve
r
sion 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abra
h
am
Modernize
wri
t
e_i
n
pfile
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k Abraham
Modernize
read_i
n
pfile
commit
|
commitdiff
|
tree
2017-03-13
Ake Sandgren
Fix tune_p
m
e
detection
of GPU s
u
p
port
commit
|
commitdiff
|
tree
2017-03-13
Ake Sandgren
Fix
spacing in
tune_pme call to t
h
re
a
d-mpi md
r
un
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdrun hanging upon exit with
s
ep
P
M
E rank
s
commit
|
commitdiff
|
tree
2017-03-07
Mark A
b
ra
h
a
m
Fix minor issues
in gmx traj
-
a
v
-af
commit
|
commitdiff
|
tree
2017-03-04
T
eemu Murtola
R
e
m
ove MDModules
use
fro
m
m
d
lib
commit
|
commitdiff
|
tree
2017-03-04
D
a
vid van
d
er
Spoel
R
e
moves rogue pri
n
ting to xvg fi
l
e
in gmx mindist
commit
|
commitdiff
|
tree
2017-03-04
Tee
m
u Murtola
Split md m
o
dule
face
t
s
to different int
e
r
f
a
ces
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fixe
s
f
or xl compil
e
rs 13
.
1
.
5 on Powe
r
8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abraham
Add tests for old gmx energy func
t
ionality
commit
|
commitdiff
|
tree
2017-02-17
M
a
rk Abraham
Use gmx::Mu
t
ex and gmx::lock
_
guard to fi
x
som
e
iss
u
es
commit
|
commitdiff
|
tree
2017-02-15
M
ark Abraham
Merge branch
release-5-1
i
nto release-2
0
16
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
raham
Redu
c
e
compilation c
o
upling
commit
|
commitdiff
|
tree
2017-02-10
Mar
k
Abraham
Corrected output of gm
x
do_dssp -s
c
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
Multi-rank thre
a
d affinity test
s
commit
|
commitdiff
|
tree
2017-02-09
Mark Abra
h
am
C
omple
t
e th
e
removal of stateful
RNG
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abraham
Improved
state_
c
ha
n
g
e_natoms
a
nd used it more
commit
|
commitdiff
|
tree
2017-02-09
T
e
emu Murtola
Document key-value tree
t
ra
n
sfo
r
ms and
improve
c
hecks
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abra
h
am
E
xte
n
d seri
a
lization t
o
gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic
KeyValue
T
ree broa
d
cast
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
G
en
e
ric gmx check
implemen
t
atio
n
with
K
e
yValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Gener
i
c gmx
d
um
p
i
m
plementation
for
K
eyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Te
e
mu M
u
rtola
G
eneric tpr ha
n
d
lin
g
for ele
c
t
r
i
c fiel
d
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iu
p
inov
PM
E
force gat
h
ering tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
F
i
x invalid tr
i
cli
n
ic
b
ox in the P
M
E test data
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Give MDModules respo
n
sibility for o
p
tion
ha
n
dling
commit
|
commitdiff
|
tree
2017-02-07
Vedran
Miletić
D
o
c
u
ment running C
l
ang
stati
c
analyzer manual
l
y
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Bu
m
ped version to prepare for
n
ext pat
c
h
release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-07
Berk He
s
s
Add mdp
o
p
tion che
c
k with
d
eco
u
ple
d
m
o
d
es
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merge
b
ranch release-5-1 into
release-20
1
6
commit
|
commitdiff
|
tree
2017-02-03
Mar
k
Abra
h
am
Remo
v
e
typedef struct in s
o
me mdtyp
e
s fi
l
es
commit
|
commitdiff
|
tree
2017-01-31
Ma
r
k Abraham
Merge
b
ran
c
h release-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-24
Al
e
ksei Iupinov
PME spline computation and
c
harg
e
spreadi
n
g
t
es
t
s
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
R
em
o
ve
u
n
u
sed argument in GPU kernels
commit
|
commitdiff
|
tree
2017-01-24
Ale
k
sei I
u
pinov
Add co
n
st quali
f
i
e
r to some
PME sp
r
e
ad arguments
commit
|
commitdiff
|
tree
2017-01-23
Mark Abra
h
am
Stop
p
ed header files including state
.
h
commit
|
commitdiff
|
tree
2017-01-23
David van der Spoe
l
Added referenc
e
for d
i
he
d
ral function in OPLS
.
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraha
m
Fix
e
d gmx rmsf -
q
-oq
.
commit
|
commitdiff
|
tree
2017-01-21
M
a
r
k
Abraham
R
emoved
i
nit_state
commit
|
commitdiff
|
tree
2017-01-20
Berk Hess
D
i
s
all
o
w overwriti
n
g of dihedral type 9
commit
|
commitdiff
|
tree
2017-01-19
Alekse
i
Iu
p
inov
PME
B
-Spl
i
n
e
modul
i
computation uni
t
test
commit
|
commitdiff
|
tree
2017-01-19
B
erk Hess
Fix PME order a
n
d gr
i
d si
z
e c
h
ec
k
s
commit
|
commitdiff
|
tree
2017-01-18
Ro
l
and Schulz
Add AlignedAr
r
ay
commit
|
commitdiff
|
tree
2017-01-14
Ma
r
k Abraham
Merge b
r
anch release-
2
016
commit
|
commitdiff
|
tree
2017-01-06
Mark
Ab
r
aham
Document ISer
i
al
i
zer class
commit
|
commitdiff
|
tree
2017-01-05
Roland Schu
l
z
Fix uni
t
ialized memory ac
c
ess
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k
A
brah
a
m
Stop t
r
y
i
n
g to use objdump --reloc o
n
Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fi
x
documenta
t
ion of OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
M
e
rge b
r
anch r
e
lease-5-1
int
o
relea
s
e-
2
016
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abraham
Corre
c
ted documentation a
b
out eigenvalue handli
n
g
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Sanitize some in
c
lude headers
commit
|
commitdiff
|
tree
next