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Fix DeviceStreamManager tests
2020-08-14
Artem
Z
hmurov
F
ix
De
v
iceStreamManager
tests
commit
|
commitdiff
|
tree
2020-08-12
Jeff Hammond
i
mpl
e
ment AVX-
5
12 secon
d
FMA detection
commit
|
commitdiff
|
tree
2020-08-07
Mark Abraham
Fix rel
e
ase build warning
commit
|
commitdiff
|
tree
2020-07-31
M
.
Eric I
r
rgang
Fix som
e
minor typesett
i
ng issue
s
.
commit
|
commitdiff
|
tree
2020-07-31
M
.
Eric Irrgang
Improve i
n
st
a
ll do
c
s l
i
n
k
s
.
commit
|
commitdiff
|
tree
2020-07-31
Berk Hess
Move foreign
p
otential energy accumulation
commit
|
commitdiff
|
tree
2020-07-29
M
.
E
ric Irrgang
U
s
e
GMXAP
I
CMake
option
g
ua
r
d for
gmxap
i
ta
r
g
et declarat
i
on
.
commit
|
commitdiff
|
tree
2020-07-29
Kevi
n
Boyd
Fix u
n
defined be
h
avior flagge
d
b
y
UBSAN
commit
|
commitdiff
|
tree
2020-07-29
Art
e
m Zhmurov
Rever
t
c++-17 features
t
h
at are
n
ot s
u
pported by CUDA
.
.
.
commit
|
commitdiff
|
tree
2020-07-01
Roland
Sch
u
lz
S
i
mpl
i
fy Iterators
commit
|
commitdiff
|
tree
2020-07-01
Paul B
a
uer
D
i
sable fai
l
ing
b
u
i
lds for
ma
s
ter branc
h
commit
|
commitdiff
|
tree
2020-06-26
Roland Schulz
MKL NULL->n
u
llpt
r
an
d
rem
o
ve dead cod
e
commit
|
commitdiff
|
tree
2020-06-25
Mark
A
b
r
a
h
am
Restored the
comme
n
t
commit
|
commitdiff
|
tree
2020-06-25
Arte
m
Z
hmurov
Make cl_nbparam
i
nt
o
a s
t
ruct
commit
|
commitdiff
|
tree
2020-06-24
Be
r
k Hess
Add clas
s
L
i
s
t
edF
o
r
ce
s
commit
|
commitdiff
|
tree
2020-06-24
Berk Hess
Change
g
r
ompp disre
s
cos
t
to line
a
r
commit
|
commitdiff
|
tree
2020-06-24
Rola
n
d
Schulz
Fix clFFT buil
d
without
G
M
X
_
LOAD_PLUGINS
commit
|
commitdiff
|
tree
2020-06-23
B
e
rk H
e
s
s
Add
v
irtual site with one construct
i
ng ato
m
commit
|
commitdiff
|
tree
2020-06-23
Kevin Boyd
[WIP] Run
r
egres
s
ion tests under ASAN
commit
|
commitdiff
|
tree
2020-06-22
M
.
Eric Irrg
a
ng
R
e
fo
r
mat pairs
.
cpp
commit
|
commitdiff
|
tree
2020-06-22
M
.
Eric Irrgang
Use Gromacs::gmx targ
e
t to hint
gmxapi
t
ests
.
commit
|
commitdiff
|
tree
2020-06-17
Erik Lindahl
Simplifi
e
d
unif
o
rm G
P
U selection in CMak
e
commit
|
commitdiff
|
tree
2020-06-15
Er
i
k
Lindahl
Replac
e
tr
i
value options with plain
b
oolean
s
commit
|
commitdiff
|
tree
2020-06-12
Artem
Z
hm
u
rov
Repla
c
e compile_cpp_as_cuda(
.
.
.
) with C
U
DA run
t
ime
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
M
.
E
r
ic Irrg
a
ng
Comp
a
rtmentalize job rules
.
commit
|
commitdiff
|
tree
2020-06-09
A
r
t
em Zhmurov
M
a
ke S
D
stuff private for update
.
cpp
commit
|
commitdiff
|
tree
2020-06-09
A
r
tem Zhmuro
v
Make SD stuff p
r
iva
t
e for up
d
a
t
e
.
c
pp
commit
|
commitdiff
|
tree
2020-06-05
Berk Hess
Remove COM
f
r
o
m
SETT
L
E
commit
|
commitdiff
|
tree
2020-06-05
P
a
u
l
Bauer
Use moltype dir
e
ctly for o
b
taining resi
d
u
e
AtomRanges
commit
|
commitdiff
|
tree
2020-06-04
Paul
Bauer
Add abil
i
ty to chose regres
s
iontest commit a
n
d
b
ranch
commit
|
commitdiff
|
tree
2020-06-04
A
r
t
em Zhmurov
Cool
quote
commit
|
commitdiff
|
tree
2020-06-03
Eri
k
Lindahl
Remov
e
'
r
e
gister' storage class in clFFT
commit
|
commitdiff
|
tree
2020-06-03
Gilles
G
o
uaillardet
nonbon
d
ed-ben
c
hmark: ru
n
combrule=none whe
n
the
-a
l
l
.
.
.
commit
|
commitdiff
|
tree
2020-06-02
Pau
l
B
au
e
r
Add
function to get residue s
t
art and end
commit
|
commitdiff
|
tree
2020-06-01
Mark Abraham
F
i
x
atomi
c
s c
o
nfig
u
re t
e
st
commit
|
commitdiff
|
tree
2020-05-29
Mark Abraham
Ma
k
e
C
ygwin buil
d
w
o
r
k
commit
|
commitdiff
|
tree
2020-05-28
M
.
Eric Irrg
a
ng
R
emove unused (and broken) image from Docker image
.
.
.
commit
|
commitdiff
|
tree
2020-05-26
Artem Zhmurov
Remove the depend
e
nce on Constraints ob
j
ect
on t
_
m
d
a
toms
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
Fix
clang-tidy warn
i
ng
s
commit
|
commitdiff
|
tree
2020-05-23
Paul Ba
u
er
Modernize convert-tpr
commit
|
commitdiff
|
tree
2020-05-23
Paul
B
auer
Add tests for tool help
o
utput writin
g
commit
|
commitdiff
|
tree
2020-05-15
Arte
m
Zhmuro
v
Uni
f
y
C
U
DA
and OpenCL lookup-table creation
commit
|
commitdiff
|
tree
2020-05-14
M
.
E
r
ic Irrgang
Reduce co
n
sole log output fro
m
s
a
mpl
e
_re
s
traint
t
est
s
.
commit
|
commitdiff
|
tree
2020-05-14
Berk H
e
ss
Extract postProcessF
o
rceW
i
thShi
f
tF
o
rce
s
()
commit
|
commitdiff
|
tree
2020-05-14
Paul Bauer
Avoid CI
e
r
r
ors from overloading resource
s
commit
|
commitdiff
|
tree
2020-05-12
Be
r
k
H
ess
Extract help
e
r for
c
e b
u
ffer
s
to
a se
p
ar
a
te class
commit
|
commitdiff
|
tree
2020-05-12
B
e
rk He
s
s
Refact
o
r vi
r
tual site i
n
terface
commit
|
commitdiff
|
tree
2020-05-12
Pa
u
l
B
auer
F
i
x arc
h
i
v
e bu
i
l
d
commit
|
commitdiff
|
tree
2020-05-06
Pau
l
Bauer
M
e
r
ge bra
n
ch 'or
i
gi
n
/
release-202
0
' into master
commit
|
commitdiff
|
tree
2020-05-05
P
aul
Bau
e
r
Fix c
o
pyrig
h
t
commit
|
commitdiff
|
tree
2020-05-04
P
a
ul B
a
uer
Use test conversion sc
r
ipt
f
rom
s
o
ur
c
e
commit
|
commitdiff
|
tree
2020-05-04
Paul B
a
u
er
Fi
x
i
n
correc
t
header and
l
inter scripts
commit
|
commitdiff
|
tree
2020-05-04
P
a
scal Merz
C
a
tch er
r
o
rs i
n
v-rescale
a
nd Parrinello-Rahman checkpointing
commit
|
commitdiff
|
tree
2020-05-01
Paul
B
a
u
er
Pr
e
pare for 2020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul B
a
uer
GROMACS versi
o
n
2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
P
r
int
base
c
o
mmit
fo
r
s
o
urce l
i
nters
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Fix inco
r
r
e
c
t header and
linter scripts
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Remove
bundled
FindCUDA
.
cmake
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
D
i
sa
l
l
ow c
o
mbin
a
tion of gcc > 9 and IBM
_
VSX
commit
|
commitdiff
|
tree
2020-04-30
Mark A
b
r
a
h
am
F
i
x compile
r
fl
a
g reporting
commit
|
commitdiff
|
tree
2020-04-29
M
a
rk Abraham
U
pd
a
te cmake version for docs c
o
ntainer
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
P
rint base commit fo
r
source linte
r
s
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Use test
co
n
version script from source
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
B
aseli
n
e comm
i
t
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Build p
y
th
o
n pa
c
kage
for documentatio
n
builds
commit
|
commitdiff
|
tree
2020-04-27
P
a
u
l Bau
e
r
Fix warning for ret
u
rn type
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix bug
in source ve
r
ification
o
n Windows
commit
|
commitdiff
|
tree
2020-04-25
P
aul Bauer
Use b
r
anc
h
poin
t
also
for format
a
nd
c
o
pyright check
commit
|
commitdiff
|
tree
2020-04-25
M
.
Eric
Irrg
a
ng
Note CUDA builds in job
n
ames
.
commit
|
commitdiff
|
tree
2020-04-23
Pa
u
l Ba
u
er
Ma
k
e c
l
ang-tidy scr
i
pt more robust
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
Fix para
l
lel te
s
ting
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Fix w
a
r
n
ings
f
o
r
no-mpi
bu
i
l
d
commit
|
commitdiff
|
tree
2020-04-22
Paul Bauer
Co
p
y of
CI
f
rom master t
o
2020
commit
|
commitdiff
|
tree
2020-04-17
Christian Blau
proposed fix for redmine bug #3403
commit
|
commitdiff
|
tree
2020-04-17
Paul Baue
r
Fix check source no
t
parsing errors and w
a
rnings
correct
l
y
commit
|
commitdiff
|
tree
2020-04-16
Mark Abra
h
a
m
Int
r
oduc
e
GM
X
_USE_S
I
MD
_
K
E
RNELS cmake option
commit
|
commitdiff
|
tree
2020-04-16
Paul Bauer
Use GPU
reso
u
rce
s
for bui
l
d types a
g
ain
commit
|
commitdiff
|
tree
2020-04-15
M
.
Eric Irrgang
Change default
C
M
a
k
e
version to 3
.
13
.
0 for C
I
i
mage
s
.
commit
|
commitdiff
|
tree
2020-04-14
Mark Abraham
Fix more clang
w
arnings
commit
|
commitdiff
|
tree
2020-04-14
M
.
Eric Irrgan
g
Fix invalid gitlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-04-13
P
aul Bauer
F
ix clang-tidy script
a
n
d
c
ode iss
u
e
commit
|
commitdiff
|
tree
2020-04-12
Szil
á
r
d
Páll
Fix
cla
n
g 10 -Wimplici
t
-int-float-con
v
e
r
sion warnings
commit
|
commitdiff
|
tree
2020-04-12
M
a
rk Abraha
m
Finish removing ENCAD shifts
and t
a
ble generation
commit
|
commitdiff
|
tree
2020-04-12
M
ar
k
Abraham
U
p
dat
e
to clan
g
-tidy-9
commit
|
commitdiff
|
tree
2020-04-10
C
h
ristoph Jungh
a
ns
cmake:
f
ix
e
xported target
commit
|
commitdiff
|
tree
2020-04-06
Pa
u
l B
a
uer
Add A
M
D image build, v2
commit
|
commitdiff
|
tree
2020-04-02
M
.
Eric Irr
g
ang
M
oderniz
e
some Python subprocess calls
.
commit
|
commitdiff
|
tree
2020-03-31
M
.
Eri
c
Irrgan
g
Update scripts for all
o
f the requ
e
s
t
ed p
r
e
-com
m
it
.
.
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric Irrgang
C
o
mpa
r
tmentalize hp
c
c
m
build stages
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric
Irrgang
B
e
friendlie
r
w
.
r
.
t
.
l
in
k
chec
k
er
.
commit
|
commitdiff
|
tree
2020-03-23
Paul Ba
u
er
F
i
x
r
e
l
ease buil
d
s on Gitlab with
regressiontests
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
r
ic Irrgang
N
o
r
m
alize s
o
me more job
n
am
e
s
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
S
i
m
plify arc
h
ive
.
gi
t
lab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eri
c
Ir
r
gang
Remove redundant jo
b
s
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
r
ic Irrgang
F
ix duplicat
e
v
a
ri
a
bles
p
a
rameter
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric
I
r
r
g
a
ng
A
d
d required Infrastructure for Gitlab m
e
rges
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
r
ic Irrgang
N
o
r
m
a
lize
naming
for gromacs build/
t
e
sting jobs
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric
I
rrgang
Remo
v
e some unne
c
e
s
sa
r
y indirection
i
n job d
e
finitio
n
s
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
r
ic Irrgang
Cons
o
lidate
.
u
s
e-clangX CI
job mix-in
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric
Irrgang
Consolidate
.
use-gccX CI job mix-in
.
commit
|
commitdiff
|
tree
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