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
Fix warnings with clang 9
2020-04-21
Mark Abraham
Fix warnings w
i
th cla
n
g 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abraham
Introduc
e
GMX_U
S
E_SIMD_KERNELS cm
a
ke option
commit
|
commitdiff
|
tree
2020-04-14
M
ark Abraha
m
F
i
x more clang wa
r
nin
g
s
commit
|
commitdiff
|
tree
2020-04-13
Mark Ab
r
aham
Fi
x
warnin
g
s for no-
m
pi bui
l
d
commit
|
commitdiff
|
tree
2020-04-12
Mark A
b
raham
Remove
d
unused variable
i
n f
o
rce table generation
commit
|
commitdiff
|
tree
2020-04-12
Mark Ab
r
aham
Finish removin
g
ENCA
D
shifts and
t
able generation
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Update
to clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark
Abraha
m
F
i
xes for clang-tidy-
9
commit
|
commitdiff
|
tree
2020-04-07
Ma
r
k Abraham
Re
p
l
ace
E
n
umOpti
o
n wit
h
Enume
r
a
t
ionArrayOption
commit
|
commitdiff
|
tree
2020-03-18
Mark Ab
r
aham
Fix unused va
r
iab
l
e in
PM
E
OpenCL k
e
rnel
commit
|
commitdiff
|
tree
2020-03-18
Mark Abr
a
ha
m
S
imp
l
if
y
PME GPU
const
a
nts
commit
|
commitdiff
|
tree
2020-03-14
M
ark Abraham
Move testing code
t
o
test directory
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
Re
q
uire padded atom data for P
M
E GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark Abraham
Consolidate PME
GPU spline
i
nfrastru
c
tur
e
commit
|
commitdiff
|
tree
2020-03-06
Mark Abraham
S
i
mplify compiling GPU code for tests
commit
|
commitdiff
|
tree
2020-03-05
Ma
r
k Ab
r
aham
Simplify PME s
t
e
p
w
orkload manageme
n
t
commit
|
commitdiff
|
tree
2020-03-04
Mark Abr
a
h
a
m
Im
p
rove TPI
h
a
ndl
i
ng
commit
|
commitdiff
|
tree
2020-02-23
Mark Abraham
Removed
u
nu
s
ed
PME g
a
ther functiona
l
ity
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraham
Added
m
ore d
o
cs an
d
tests
t
o EnumerationArr
a
y
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Up
d
ate some nbnxm ker
n
e
l
constan
t
s to cons
t
e
x
p
r
commit
|
commitdiff
|
tree
2020-01-27
Ma
r
k Ab
r
aham
R
e
move element
-
siz
e
member
fields
commit
|
commitdiff
|
tree
2020-01-27
M
a
r
k
Abraham
Make NbnxnGpu class with c
o
nstructor
commit
|
commitdiff
|
tree
2020-01-17
Mark
A
bra
h
am
Regularize nbnxm modul
e
doxygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Abraham
M
a
k
e
nbnxm headers more self-contained
commit
|
commitdiff
|
tree
2020-01-09
Mar
k
Abraham
C
lean
up ewal
d
mod
u
le interna
l
s
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
S
plit lines with many copyright years
commit
|
commitdiff
|
tree
2019-12-31
Ma
r
k Ab
r
aham
A
void 386 O3 co
d
egen bug even
more
commit
|
commitdiff
|
tree
2019-12-30
Mar
k
Abraham
Tests
t
h
a
t verify
serialize
r
behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mark
A
braham
Rem
o
ve use
o
f tuple i
n
LINCS c
o
de for GPU impl
e
m
en
t
ati
o
n
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Remove G
M
X
_CYCL
E
COUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Me
r
ge "Merge origin/
r
el
e
ase-2019 into release-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mar
k
Abraha
m
Remove suppo
r
t for ARM
v
7
commit
|
commitdiff
|
tree
2019-12-28
Mark Ab
r
aham
Stop te
s
t
i
n
g
ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark
Abrah
a
m
Fi
x
that tests
i
ntended fo
r
mul
t
i
ple ranks run that way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Si
m
plify gmxapi RPATH handling
commit
|
commitdiff
|
tree
2019-12-12
Mark
A
braham
Merge
"
Merge
b
ranc
h
'origin/release-202
0
' into
m
aste
r
"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Document DOMAINDECOMP(cr) co
r
r
ectly
commit
|
commitdiff
|
tree
2019-12-10
Ma
r
k Abraham
Simplify gmxapi RPATH h
a
ndling
commit
|
commitdiff
|
tree
2019-12-06
Mark
Abraham
Avoid 386
O3
cod
e
gen bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abra
h
am
Provide
m
ore feedback
w
hen
li
s
ted forc
e
s tests fa
i
l
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Added OpenCL b
u
ild to
r
elease
m
atrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Removed unnecessary link_dir
e
ctor
i
e
s
command for gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark Abraham
F
urthe
r
improve taskassignment ex
c
e
ption handling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abra
h
am
Merge b
r
anch
r
elea
s
e-2019 into rele
a
se-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark
A
braham
Disabl
e
GPU PME-P
P
com
m
unicat
i
on with md
r
u
n
-
p
mefft c
p
u
commit
|
commitdiff
|
tree
2019-11-26
M
a
rk A
b
raham
Imp
r
ove handl
i
ng of
task-assignment exceptions
commit
|
commitdiff
|
tree
2019-11-26
M
ark Abraham
Relax tole
r
a
n
ce for bd te
s
ts
commit
|
commitdiff
|
tree
2019-11-21
Mark
A
braham
Merge branch rele
a
se-2020
commit
|
commitdiff
|
tree
2019-11-21
Ma
r
k
Abraham
New c
o
ol
qu
o
te
commit
|
commitdiff
|
tree
2019-11-20
Mark Abraham
Qu
i
et uninitial
i
zed v
a
riable warn
i
n
g
wit
h
cla
n
g 9
commit
|
commitdiff
|
tree
2019-11-19
Mark
Abr
a
h
am
U
p
dated release notes for
C
ODA
T
A upd
a
te
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Rel
a
xed listed forces test tolerances
commit
|
commitdiff
|
tree
2019-11-16
Mar
k
Abraham
S
to
p
testin
g
that
h
w
loc cache-
s
i
z
e
detection
w
orks
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark
Abraha
m
Test
s
for vali
d
periodic a
c
tio
n
s
commit
|
commitdiff
|
tree
2019-10-13
M
a
rk Abraham
E
nsure envi
r
onme
n
t
v
a
riabl
e
use does
not give warni
n
gs
commit
|
commitdiff
|
tree
2019-10-07
Mark
A
braham
Extend
G
PU traits class
commit
|
commitdiff
|
tree
2019-10-04
Mark Abra
h
am
F
ix
that tests intended
f
or mu
l
tiple ranks
run
t
hat way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abra
h
am
Improve PME tes
t
ing
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k A
b
raham
Mov
e
GP
U
task assig
n
ment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Fix ic
c
warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Removed de
p
e
n
denc
y
on commrec
o
f md
r
un setup
commit
|
commitdiff
|
tree
2019-09-30
Mar
k
Abr
a
ham
Make
a
b
ui
l
der
f
or DD
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraham
Improve M
i
MiC t
e
st
i
m
pleme
n
t
ation
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraha
m
Stop checking CUDA
v
ersi
o
n reported by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
braham
Fix gro file output
wit
h
ind
e
x g
r
oups
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abra
h
am
Add
t
e
sts for
e
ditc
o
nf f
i
le conv
e
rs
i
on with
indexi
n
g
commit
|
commitdiff
|
tree
2019-09-27
Mark Ab
r
aham
Fix gro fil
e
o
utp
u
t with index
g
r
oups
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
b
ra
h
am
Rem
o
v
e
leftov
e
r
supp
o
rt for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
M
a
rk Abraham
Fix l
o
g fi
l
e fl
a
g
output
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
F
i
x
n
o
-MPI
C
UDA build
commit
|
commitdiff
|
tree
2019-09-24
Mark A
b
r
aham
Merge "Merge branch release-2019 into master"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abra
h
am
Fix c
l
ang unused-function w
a
rnings
commit
|
commitdiff
|
tree
2019-09-23
Ma
r
k Ab
r
aham
Fixe
s
to broken CUDA compiler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark
A
braham
Fix 1D-1
p
ulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Abrah
a
m
Refactor to crea
t
e a G
p
uTaskAssi
g
nments objec
t
commit
|
commitdiff
|
tree
2019-09-19
Mark Abrah
a
m
Use GPU halo exchang
e
on
l
y when compatibl
e
DD is avail
a
ble
commit
|
commitdiff
|
tree
2019-09-19
Mark
Abraham
Fu
r
ther im
p
rove
ge
t
DDG
r
idSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abraham
Avoid
s
hort-range GPU
o
p
erati
o
ns
w
i
th no
w
ork
commit
|
commitdiff
|
tree
2019-09-12
M
a
rk Abraham
Di
s
a
ble report-methods end-to-end
t
est
commit
|
commitdiff
|
tree
2019-09-11
M
ark
A
b
raham
Make gm
x
_multisim_t a C+
+
object
commit
|
commitdiff
|
tree
2019-09-11
Mark
Abraham
Fix multi
-
si
m
restart
h
andl
i
ng in corn
e
r cases
commit
|
commitdiff
|
tree
2019-09-10
Mark Ab
r
aham
Avoid warning in no-mpi buil
d
commit
|
commitdiff
|
tree
2019-09-10
Mark A
b
raham
Use more R
A
II s
e
mantics with t_commrec
commit
|
commitdiff
|
tree
2019-09-06
M
a
rk Abraham
Clean up com
m
rec uniformly
commit
|
commitdiff
|
tree
2019-09-05
Mark Abraham
Up
d
a
t
e mdrun test
c
o
m
pa
r
ison infrastructure
commit
|
commitdiff
|
tree
2019-09-03
Mark Abraham
Simplify energy-f
i
l
e comparisons in
t
ests
commit
|
commitdiff
|
tree
2019-09-02
M
ark Abra
h
am
M
o
v
e
initializa
t
ion of c
l
FFT
commit
|
commitdiff
|
tree
2019-08-30
Mar
k
Ab
r
a
ha
m
Fix buil
d
matrices
commit
|
commitdiff
|
tree
2019-08-29
Mark A
b
r
a
ham
Mo
r
e quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark A
b
rah
a
m
F
i
x
integration issue
s
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
Impr
o
ved usabilit
y
of grompp by rej
e
c
ting more
i
nvalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
a
rk Ab
r
a
h
a
m
Add integration test
s
f
o
r
exact restarts
commit
|
commitdiff
|
tree
2019-08-26
M
ark Abraham
M
a
ke FEP rer
u
n tests c
o
ver the
i
ntended lambda space
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Con
v
e
rte
d
a CUDA config to use clan
g
host-
o
nly co
m
pil
a
tion
commit
|
commitdiff
|
tree
2019-08-26
M
ark Abraham
Fix pa
i
rlist bug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
Update clang-tidy to clan
g
version
8
commit
|
commitdiff
|
tree
2019-08-22
Ma
r
k Abr
a
ham
Me
r
ge branc
h
release-2019
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
I
mp
r
o
v
e clang-an
a
l
yzer build time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark
Abraham
Improve
organization of L
I
NCS reporting
commit
|
commitdiff
|
tree
next