repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Refactor error handling in init_gpu
2017-07-07
Mark Abraham
R
efactor error
h
andling in
i
nit
_
gpu
commit
|
commitdiff
|
tree
2017-07-04
Mark
A
br
a
h
am
Clean up
pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark
A
b
r
aham
Cleane
d
up GPU emu
l
at
i
on
logic
commit
|
commitdiff
|
tree
2017-06-30
Teem
u
Murtola
Fix boolean seri
a
lizati
o
n
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtol
a
Extend key-value
t
r
e
e c
o
mpar
i
son and tes
t
s
commit
|
commitdiff
|
tree
2017-06-28
Mark
A
braham
Cleaned up
high
-
level boolean variable
naming
commit
|
commitdiff
|
tree
2017-06-28
Mark
Abraham
Merg
e
branch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-06-27
T
ee
m
u Murtola
D
o
not
u
se
conf
-
man
.
py for n
o
n-manpage
d
oc builds
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor improvemen
t
s to test configs
commit
|
commitdiff
|
tree
2017-06-26
Erik
L
indahl
Fix
AR
M
N
E
ON simd deb
u
g bui
l
ds
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Páll
Add A
R
M_NEON_ASIM
D
post-submit test
commit
|
commitdiff
|
tree
2017-06-26
Jiri Kraus
Updat
e
d application
clock handling on Pa
s
cal+ GPUs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abra
h
am
Consoli
d
ated logic f
o
r cho
o
sing n
u
mb
e
r
o
f
thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk Abra
h
am
Replace misnamed nb
n
x
n
_
gpu_acceler
a
tion_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidate and fix
logic for mdrun -nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Szil
á
rd Páll
Re-enable lo
s
t DD warning + min
o
r code moderniza
t
ion
commit
|
commitdiff
|
tree
2017-06-21
M
a
rk Ab
r
aham
Reform
ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Remov
e
b
U
se
r
S
etGpu
I
ds fie
l
d
commit
|
commitdiff
|
tree
2017-06-12
Mark
A
braham
M
o
ve g
m
x_pa
r
s
e
_gpu_id
out of checking
function
commit
|
commitdiff
|
tree
2017-06-12
Al
e
ksei Iupino
v
Store a
p
h
y
sical node comm
u
nica
t
or in t_commrec
commit
|
commitdiff
|
tree
2017-06-11
M
a
gnus L
u
n
dbor
g
Updated
T
NG to ve
r
sio
n
1
.
8
commit
|
commitdiff
|
tree
2017-05-31
Mar
k
Abraham
New quot
e
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murt
o
la
Avoid some inc
o
rrect behavior with gmx solv
a
te
commit
|
commitdiff
|
tree
2017-05-29
Te
e
mu Murt
o
l
a
Remov
e
pbcutil <-> mdtypes cycli
c
dep
e
ndenc
y
commit
|
commitdiff
|
tree
2017-05-29
Ved
r
an Miletić
Standar
d
i
z
e use of |Gro
m
acs| i
n
r
e
S
T
docs
commit
|
commitdiff
|
tree
2017-05-26
Mark
A
braham
Test invsixthroot fun
c
tion as intende
d
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Upda
t
ed use of com
p
ile
r
spec
i
fiers
i
n
testing
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated u
s
e of gcc-5 specifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abra
h
am
Update
c
l
ang static a
n
alyzer slave to use version
4
commit
|
commitdiff
|
tree
2017-05-14
Mark
Abr
a
ham
Update cla
n
g-4
commit
|
commitdiff
|
tree
2017-05-14
Justin Lemkul
C
larification
s
to editconf help text
.
commit
|
commitdiff
|
tree
2017-05-14
Justin Lemkul
C
la
r
i
f
i
c
ations to editconf help
text
.
commit
|
commitdiff
|
tree
2017-05-09
Mark Ab
r
ah
a
m
Fix forma
t
ti
n
g of
M
KL cmake docs
commit
|
commitdiff
|
tree
2017-05-09
M
a
r
k Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
C
l
e
an
e
d up m
e
mory usage in g
m
x traj and
t
rjconv
commit
|
commitdiff
|
tree
2017-04-19
Berk Hess
Fix unused SIMD P
M
E ta
b
l
e kernel
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
braham
Minor change to GPU compatib
i
lity reporti
n
g handling
commit
|
commitdiff
|
tree
2017-04-17
M
ark
A
braham
Propose a post-subm
i
t ma
t
rix
commit
|
commitdiff
|
tree
2017-04-17
Teemu Murtola
C
o
nsi
s
tent ap
p
ro
a
ch for
w
ho
l
e-
p
r
ogram tests
commit
|
commitdiff
|
tree
2017-03-31
Mark A
b
raha
m
M
erge branch release-201
6
commit
|
commitdiff
|
tree
2017-03-22
M
a
r
k Abr
a
ham
A
dd section to user guide for managing sim
u
l
atio
n
s
commit
|
commitdiff
|
tree
2017-03-17
M
.
E
r
i
c I
r
rgang
A
dd an
e
xtra verbose targ
e
t
f
or docs
commit
|
commitdiff
|
tree
2017-03-16
S
zi
l
árd Pál
l
Pr
i
n
t co
d
e o
f
unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-14
M
a
rk A
b
raham
Merge br
a
n
c
h release-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bumped ve
r
sio
n
to prepare for next patch
r
elease
commit
|
commitdiff
|
tree
2017-03-13
M
a
rk Abraham
V
e
r
s
ion 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
M
ark Abra
h
am
Mod
e
rn
i
ze write_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
M
odernize read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Ake Sandgren
Fi
x
t
u
n
e
_pme
detection of GPU support
commit
|
commitdiff
|
tree
2017-03-13
Ake San
d
gren
Fix spacing
i
n tun
e
_pme
c
all t
o
thread-mpi mdru
n
commit
|
commitdiff
|
tree
2017-03-09
Szilár
d
Páll
Fix
m
d
r
un
h
anging u
p
on exit with s
e
p
PME ranks
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraha
m
F
ix minor issues in gmx traj
-av -af
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murtola
Remove MDModules use fr
o
m mdlib
commit
|
commitdiff
|
tree
2017-03-04
D
a
vid van der Spo
e
l
Removes
ro
g
ue
p
r
int
i
ng t
o
xvg
f
i
le in gmx mindist
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murtola
Split
md module facets to different interface
s
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fixes for xl c
o
m
p
ilers 13
.
1
.
5 on P
o
w
er8
commit
|
commitdiff
|
tree
2017-02-20
M
a
r
k Abr
a
ha
m
Add tests for old gmx ene
r
gy functionality
commit
|
commitdiff
|
tree
2017-02-17
M
a
rk A
b
r
a
ham
Use gmx:
:
Mu
t
ex and gmx::lock_guard to fix some
i
ssues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merge branch rele
a
se-
5
-1 into
releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-14
Mar
k
Abraham
R
e
du
c
e compi
l
a
tion co
u
p
li
n
g
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Co
r
rect
e
d output of gmx d
o
_dss
p
-sc
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu
Murtola
Multi-rank
t
hread a
f
fin
i
ty tests
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Complete
t
he removal of state
f
ul RNG
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abrah
a
m
Improved state_chang
e
_natoms and us
e
d it more
commit
|
commitdiff
|
tree
2017-02-09
Te
e
mu Murt
o
l
a
Do
c
ument key-value tree transfor
m
s and
i
mpro
v
e
che
c
ks
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk
Abraham
Ex
t
end serialization to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic
KeyVal
u
eT
r
ee br
o
a
dcast
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Gener
i
c gmx
c
heck im
p
lementation with KeyV
a
lueTree
commit
|
commitdiff
|
tree
2017-02-08
T
eemu
M
u
r
tola
Ge
n
eric gmx
d
ump implement
a
tion for KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murto
l
a
Ge
n
eric tpr handli
n
g
f
or
electric fie
l
d
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iup
i
nov
PME force gat
h
ering
t
e
sts
commit
|
commitdiff
|
tree
2017-02-08
A
leksei Iu
p
inov
Fix i
n
va
l
id t
r
iclinic b
o
x in the PME te
s
t data
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Give MDMod
u
les responsibilit
y
f
or
o
p
tion handlin
g
commit
|
commitdiff
|
tree
2017-02-07
Vedran Mi
l
eti
ć
Document r
u
nning Clang
static
a
nalyzer manu
a
lly
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk
A
braham
Me
r
ge branc
h
re
l
ease-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
b
r
aham
B
umped ver
s
i
on to pre
p
are for
n
ext patc
h
releas
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
V
ersi
o
n
2
016
.
2
commit
|
commitdiff
|
tree
2017-02-07
Berk Hess
A
d
d mdp op
t
ion c
h
eck with decoupled m
o
des
commit
|
commitdiff
|
tree
2017-02-05
Mark Abra
h
am
Merge b
r
anch release-5-1 i
n
to r
e
lease-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraham
R
e
move t
y
ped
e
f
struct in some mdtypes files
commit
|
commitdiff
|
tree
2017-01-31
Mark Abrah
a
m
Merge branch re
l
e
as
e
-5-1 int
o
release-2016
commit
|
commitdiff
|
tree
2017-01-24
A
leks
e
i
Iupinov
PME
sp
l
ine
computation and charge spread
i
ng tests
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Remov
e
unused a
r
gument in GP
U
kernels
commit
|
commitdiff
|
tree
2017-01-24
Aleksei I
u
pinov
A
d
d
c
onst qualifier
t
o some PME spread
ar
g
um
e
n
t
s
commit
|
commitdiff
|
tree
2017-01-23
Mark
A
braham
Stopped
header
files
including
state
.
h
commit
|
commitdiff
|
tree
2017-01-23
David v
a
n der Spoel
Added reference for
d
ihedr
a
l
function in OPLS
.
commit
|
commitdiff
|
tree
2017-01-22
M
ark A
b
raham
F
i
xe
d
g
mx
r
msf -q
-oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
Removed init_stat
e
commit
|
commitdiff
|
tree
2017-01-20
Berk Hess
Di
s
a
llow overwriting of dihedral
t
ype 9
commit
|
commitdiff
|
tree
2017-01-19
Al
e
ksei Iupinov
PME B-Spline moduli c
o
mputation unit test
commit
|
commitdiff
|
tree
2017-01-19
Berk Hess
F
i
x P
M
E order and grid size checks
commit
|
commitdiff
|
tree
2017-01-18
R
oland
S
chulz
A
dd Aligned
A
rray
commit
|
commitdiff
|
tree
2017-01-14
M
ark
A
b
raham
Merge branch re
l
e
ase-201
6
commit
|
commitdiff
|
tree
2017-01-06
M
a
rk Ab
r
aha
m
Docum
e
nt ISerializ
e
r
c
lass
commit
|
commitdiff
|
tree
2017-01-05
Ro
l
a
n
d Schulz
Fix unitializ
e
d memory
acces
s
commit
|
commitdiff
|
tree
2017-01-04
M
a
rk Abraham
Stop tryin
g
to use objdu
m
p --r
e
lo
c
on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix documen
t
atio
n
o
f
OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Merge
b
ranch
r
e
l
ease-5
-
1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abr
a
ham
Corrected documentati
o
n abou
t
eige
n
value handling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abra
h
am
Sanitize s
o
me i
n
clude hea
d
e
rs
commit
|
commitdiff
|
tree
next