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
Mark HWLOC cmake cache variable as advanced
2020-04-23
Mark Abraham
Ma
r
k HWLOC cmake cac
h
e
va
r
iable as advanced
commit
|
commitdiff
|
tree
2020-04-21
Mark Abr
a
ham
Fix warn
i
ngs with clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mark
Abraham
Introduce
G
M
X
_USE_SIMD_KERNELS cmak
e
op
t
i
o
n
commit
|
commitdiff
|
tree
2020-04-14
M
ark
A
braham
Fix more cla
n
g warnings
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraha
m
Fix warnings
for
no-mp
i
build
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
R
e
mo
v
ed unused var
i
able
i
n f
o
rce table generation
commit
|
commitdiff
|
tree
2020-04-12
Mark
A
b
r
aham
Finish r
e
m
oving E
N
C
A
D shifts an
d
tabl
e
g
eneratio
n
commit
|
commitdiff
|
tree
2020-04-12
M
ar
k
Abraham
Update
to clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark
A
braha
m
Fixes for clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-07
Mark Abrah
a
m
Replace
E
n
umOption with En
u
merationArrayOption
commit
|
commitdiff
|
tree
2020-03-18
Ma
r
k Abraha
m
Fix unused variable in PME
O
penCL kernel
commit
|
commitdiff
|
tree
2020-03-18
Mark Abra
h
a
m
Sim
p
l
i
fy PME G
P
U constants
commit
|
commitdiff
|
tree
2020-03-14
Mark Abrah
a
m
M
o
ve
t
e
sting c
o
de to test directory
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
Require pad
d
ed atom data for PM
E
G
P
U
commit
|
commitdiff
|
tree
2020-03-09
Mark A
b
raham
Co
n
solid
a
te PME GPU spline inf
r
astructu
r
e
commit
|
commitdiff
|
tree
2020-03-06
Mark Abraham
Si
m
plify compil
i
n
g GPU code for tests
commit
|
commitdiff
|
tree
2020-03-05
Mark
A
bra
h
am
Simplify PME st
e
p w
o
r
kload management
commit
|
commitdiff
|
tree
2020-03-04
Mark Abraham
Improve T
P
I handling
commit
|
commitdiff
|
tree
2020-02-23
M
ark Abra
h
a
m
Removed
u
nused PME
g
ather functio
n
ality
commit
|
commitdiff
|
tree
2020-02-18
Mark Abr
a
ham
Ad
d
e
d
more
d
ocs and tests
to Enum
e
rat
i
onArray
commit
|
commitdiff
|
tree
2020-01-27
M
a
rk Abraham
Update some nbnxm kernel constant
s
to constexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Remove
element
-
size
member fields
commit
|
commitdiff
|
tree
2020-01-27
Mark
Abraham
Make
Nb
n
xnGpu cl
a
ss wi
t
h const
r
uctor
commit
|
commitdiff
|
tree
2020-01-17
Mark Abra
h
am
Regularize n
b
n
x
m
module dox
y
ge
n
commit
|
commitdiff
|
tree
2020-01-16
Mark Abra
h
am
Mak
e
nbnxm he
a
ders m
o
re self-con
t
ained
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Clean up e
w
ald
m
odule internals
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Split
l
ines with ma
n
y copyright years
commit
|
commitdiff
|
tree
2019-12-31
Mark Abraham
Avoid 386 O3 codegen bug even more
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraha
m
Tests that veri
f
y
serializer
behaviours
commit
|
commitdiff
|
tree
2019-12-30
Ma
r
k
A
b
raham
R
e
move
use of tupl
e
in LINCS
c
ode for GPU impleme
n
tat
i
on
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Re
m
ove G
M
X_CYCLECO
U
NT
E
R
S
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k Abraham
Mer
g
e
"Merge or
i
gin/release-2019 into
r
e
lease-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
M
ark
Abraha
m
Remove
s
upp
o
rt for
A
RMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Stop testin
g
A
RMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark A
b
raham
Fix that tests intend
e
d
f
o
r multi
p
le rank
s
r
un that wa
y
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Simpl
i
fy
g
mxapi RPAT
H
handling
commit
|
commitdiff
|
tree
2019-12-12
M
ark Abra
h
am
M
e
r
ge "Me
r
ge branch 'origin/release-2
0
20' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark Ab
r
a
ham
Documen
t
DO
M
AI
N
D
E
COMP(cr) co
r
rectly
commit
|
commitdiff
|
tree
2019-12-10
M
a
rk Abraham
Simpli
f
y gmxapi
RPATH handling
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk
Abraham
Avoid 386 O
3
cod
e
g
e
n
bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Ab
r
a
ham
P
r
ovide more feedback whe
n
li
s
ted force
s
tests fail
commit
|
commitdiff
|
tree
2019-12-04
M
ark Abraham
Added OpenC
L
b
u
ild to release m
a
trix
commit
|
commitdiff
|
tree
2019-12-04
M
a
rk A
b
raham
Removed
u
nn
e
cessa
r
y link_directorie
s
command for
gte
s
t
commit
|
commitdiff
|
tree
2019-12-01
Mark
Abraham
Further imp
r
ove task
a
ssignment exception h
a
ndling
commit
|
commitdiff
|
tree
2019-11-29
Mark
A
braham
M
e
rg
e
branc
h
rele
a
se
-
2019 into rel
e
ase-2020
commit
|
commitdiff
|
tree
2019-11-27
Ma
r
k Abra
h
a
m
Di
s
able GP
U
PME-PP comm
u
nication with m
d
run -pmef
f
t cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abr
a
ham
Improve hand
l
i
ng of t
a
sk-a
s
signment
e
xception
s
commit
|
commitdiff
|
tree
2019-11-26
Mark
A
bra
h
am
Relax tolerance for bd
t
ests
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraha
m
Merge branc
h
release-2020
commit
|
commitdiff
|
tree
2019-11-21
M
ark Abrah
a
m
New coo
l
quot
e
commit
|
commitdiff
|
tree
2019-11-20
Ma
r
k
Abraha
m
Q
u
iet un
i
nitiali
z
ed
variable warnin
g
w
ith clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Upd
a
ted release notes for CODATA update
commit
|
commitdiff
|
tree
2019-11-16
Mar
k
Abr
a
h
am
Relaxed l
i
sted f
o
rce
s
test tolera
n
c
e
s
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraha
m
Sto
p
testing
t
hat h
w
loc cache-size detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
M
ark Abr
a
ha
m
Tests f
o
r valid
p
erio
d
i
c acti
o
ns
commit
|
commitdiff
|
tree
2019-10-13
Ma
r
k A
b
raham
Ensure environment variable use does
n
ot
g
ive warnings
commit
|
commitdiff
|
tree
2019-10-07
Ma
r
k
Ab
r
a
h
am
Extend GPU
t
raits cl
a
ss
commit
|
commitdiff
|
tree
2019-10-04
Mar
k
Abraham
F
i
x t
h
at tests inten
d
ed fo
r
multipl
e
rank
s
run that way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abr
a
ham
Improve PME testing
commit
|
commitdiff
|
tree
2019-10-01
M
ark Abraham
Move GPU task ass
i
gnment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Fix icc warnin
g
s
commit
|
commitdiff
|
tree
2019-10-01
M
ark
Abraham
R
e
moved depend
e
ncy on co
m
mrec of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
Ma
r
k
A
braha
m
Make a builder for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraha
m
Improve MiMiC test implementation
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Stop che
c
king CUDA version
reported by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Fix gro file output with inde
x
groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Ad
d
tests for
e
ditconf file con
v
ersion wit
h
inde
x
i
n
g
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraha
m
Fix gro
f
i
le output with i
n
d
e
x
grou
p
s
commit
|
commitdiff
|
tree
2019-09-27
M
ark
A
braha
m
Remo
v
e l
e
f
t
over
su
p
po
r
t for pre
-
9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abr
a
h
a
m
Fix log file flag ou
t
put
commit
|
commitdiff
|
tree
2019-09-24
M
ark
Abraham
Fix no-MP
I
C
UD
A
build
commit
|
commitdiff
|
tree
2019-09-24
M
ark
Abraha
m
Merge "Merge branch release-2019 into ma
s
ter"
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k Abraham
Fix clang
u
nuse
d
-function warnings
commit
|
commitdiff
|
tree
2019-09-23
Ma
r
k Ab
r
aham
Fixes to broken CUDA
c
omp
i
l
e
r flags
commit
|
commitdiff
|
tree
2019-09-23
Mark A
b
r
a
ham
F
i
x 1D-1pulse
s
uppo
r
t
commit
|
commitdiff
|
tree
2019-09-20
Ma
r
k Abraham
Refact
o
r to create a GpuTaskAssignment
s
object
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
Abr
a
ham
Use GPU halo exchange only when compatib
l
e
DD
is avai
l
a
b
le
commit
|
commitdiff
|
tree
2019-09-19
Ma
r
k
Abraham
F
u
rther imp
r
ove g
e
tDDG
r
idSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Ab
r
aham
Avoi
d
short-ra
n
g
e
G
PU operations wit
h
no
wo
r
k
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraham
Dis
a
b
le
repo
r
t-method
s
e
nd-to-end
te
s
t
commit
|
commitdiff
|
tree
2019-09-11
Mark
A
br
a
ham
M
a
ke gmx_mu
l
tisim_t a C++ object
commit
|
commitdiff
|
tree
2019-09-11
M
a
rk Abraham
Fi
x
multi-sim res
t
art hand
l
ing in corner cases
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Avoid warning in no-mpi build
commit
|
commitdiff
|
tree
2019-09-10
Mark
A
b
r
aham
Use more RAII sema
n
tic
s
with t_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mark Ab
r
aham
Clean up commrec unif
o
rmly
commit
|
commitdiff
|
tree
2019-09-05
Ma
r
k Abraham
Up
d
ate mdrun
t
est comparis
o
n
i
n
f
rastructure
commit
|
commitdiff
|
tree
2019-09-03
Mark Abraham
Sim
p
l
ify
e
nergy-file com
p
a
risons in tests
commit
|
commitdiff
|
tree
2019-09-02
Mark
A
br
a
ha
m
Move initialization of
clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark Abraham
Fix build
m
a
trices
commit
|
commitdiff
|
tree
2019-08-29
M
ark
A
braham
More quo
t
e
s
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Fix integ
r
ation
i
ssues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abra
h
am
Improved u
s
ability of
g
rom
p
p by rejecting more
i
nvalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark Ab
r
aham
Add integr
a
tion
tests for exact re
s
tarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
M
ake FEP rerun te
s
ts
cov
e
r
the intended lambda space
commit
|
commitdiff
|
tree
2019-08-26
Ma
r
k Abr
a
ha
m
Convert
e
d a CUD
A
config to u
s
e clang
h
o
s
t-only comp
i
lation
commit
|
commitdiff
|
tree
2019-08-26
Mar
k
Abraham
Fix pairlist bug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
U
p
d
ate clang-
t
idy to c
l
ang version 8
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
Abraham
Mer
g
e
b
r
anc
h
rele
a
s
e-2019
commit
|
commitdiff
|
tree
2019-08-22
M
a
r
k
Abraham
Impr
o
v
e
c
lan
g
-an
a
lyzer b
u
ild t
i
me
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix release matr
i
x
commit
|
commitdiff
|
tree
next