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Fix DeviceStreamManager tests
2020-08-14
Ar
t
em Zhmurov
Fi
x
Device
S
treamM
a
nage
r
t
e
sts
commit
|
commitdiff
|
tree
2020-08-12
Jeff
Hammond
i
m
plement
AVX-512 seco
n
d FMA detect
i
on
commit
|
commitdiff
|
tree
2020-08-07
M
a
rk Abraham
Fix r
e
lease build
wa
r
n
ing
commit
|
commitdiff
|
tree
2020-07-31
M
.
E
ric Irrga
n
g
Fix some minor typese
t
ting i
s
sues
.
commit
|
commitdiff
|
tree
2020-07-31
M
.
Er
i
c
Irrgang
Impro
v
e install docs li
n
ks
.
commit
|
commitdiff
|
tree
2020-07-31
Berk He
s
s
M
o
ve foreign potenti
a
l energy accumulation
commit
|
commitdiff
|
tree
2020-07-29
M
.
Eric Irrgang
Us
e
GMXA
P
I CMake opti
o
n guard
for gmxap
i
target dec
l
aratio
n
.
commit
|
commitdiff
|
tree
2020-07-29
K
e
vin
Boyd
Fix undefin
e
d behav
i
or flagg
e
d b
y
UBSAN
commit
|
commitdiff
|
tree
2020-07-29
A
r
te
m
Z
h
murov
Revert
c
++-17 features that
are not supporte
d
by
C
U
D
A
.
.
.
commit
|
commitdiff
|
tree
2020-07-01
Roland Sc
h
u
lz
Simplify
I
terators
commit
|
commitdiff
|
tree
2020-07-01
P
aul Bauer
Disabl
e
fai
l
ing
builds for master br
a
nch
commit
|
commitdiff
|
tree
2020-06-26
Roland Schulz
M
KL N
U
LL->nullptr and rem
o
ve
dead code
commit
|
commitdiff
|
tree
2020-06-25
Mark Abraham
Restored the comment
commit
|
commitdiff
|
tree
2020-06-25
Artem Zhmurov
Make cl_
n
bpar
a
m
int
o
a st
r
uct
commit
|
commitdiff
|
tree
2020-06-24
B
e
rk Hess
Add c
l
ass ListedFor
c
es
commit
|
commitdiff
|
tree
2020-06-24
Berk
Hess
Change grompp disre
s
cost t
o
linea
r
commit
|
commitdiff
|
tree
2020-06-24
Roland Schulz
Fix c
l
FFT build without GMX_LOAD_PLU
G
INS
commit
|
commitdiff
|
tree
2020-06-23
B
e
rk Hess
A
d
d vi
r
tual sit
e
w
i
t
h one constructing
atom
commit
|
commitdiff
|
tree
2020-06-23
Kevi
n
B
o
yd
[W
I
P] R
u
n
regression tests under
ASAN
commit
|
commitdiff
|
tree
2020-06-22
M
.
E
r
ic
I
rr
g
ang
Re
f
o
r
m
a
t
pairs
.
cpp
commit
|
commitdiff
|
tree
2020-06-22
M
.
Eric Irrgang
U
s
e Groma
c
s
::gm
x
target to hint gmxapi te
s
ts
.
commit
|
commitdiff
|
tree
2020-06-17
E
r
ik Lindahl
Simplifi
e
d uniform GP
U
selection in
C
Make
commit
|
commitdiff
|
tree
2020-06-15
Erik Li
n
dahl
Replace trivalue options with plain b
o
ol
e
a
n
s
commit
|
commitdiff
|
tree
2020-06-12
Artem
Z
hmu
r
ov
Replace compile_cpp_as
_
cuda
(
.
.
.
) with CUDA runtim
e
.
.
.
commit
|
commitdiff
|
tree
2020-06-09
M
.
Eric Irrgang
Co
m
part
m
entali
z
e
job rules
.
commit
|
commitdiff
|
tree
2020-06-09
Artem
Z
hmurov
Make SD
s
tuff private for up
d
ate
.
cpp
commit
|
commitdiff
|
tree
2020-06-09
A
rtem Zhmurov
Make SD s
t
uff private for update
.
cpp
commit
|
commitdiff
|
tree
2020-06-05
Berk Hess
R
emove CO
M
f
r
om SETTL
E
commit
|
commitdiff
|
tree
2020-06-05
Pau
l
B
auer
Use moltype directly for obtaini
n
g residue
A
t
omRanges
commit
|
commitdiff
|
tree
2020-06-04
P
a
ul Bauer
Add a
b
ility to ch
o
s
e
regres
s
iontest commit and b
r
anch
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
C
o
ol
q
uote
commit
|
commitdiff
|
tree
2020-06-03
Erik Linda
h
l
Remove 'r
e
gister'
storage
c
lass in clFFT
commit
|
commitdiff
|
tree
2020-06-03
Gille
s
Go
u
aillardet
no
n
bon
d
ed-
b
enchma
r
k
:
r
u
n combrule=none wh
e
n the -all
.
.
.
commit
|
commitdiff
|
tree
2020-06-02
P
a
u
l Bauer
Add f
u
nction to get residue
start
a
n
d
end
commit
|
commitdiff
|
tree
2020-06-01
M
a
rk Abra
h
am
F
ix
atomics c
o
nfigure test
commit
|
commitdiff
|
tree
2020-05-29
Mark Abraham
Make Cygwin b
u
ild work
commit
|
commitdiff
|
tree
2020-05-28
M
.
Eric Irrgang
Remove unused (and
b
roken
)
imag
e
from Docker image
.
.
.
commit
|
commitdiff
|
tree
2020-05-26
A
rtem Zhmurov
Remove th
e
depend
e
nce on Constraint
s
o
b
je
c
t
o
n t_
m
d
a
toms
commit
|
commitdiff
|
tree
2020-05-25
Paul Ba
u
er
Fix clang-tid
y
w
a
rnings
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Modernize
c
o
n
ver
t
-tpr
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Add test
s
for too
l
help output
writing
commit
|
commitdiff
|
tree
2020-05-15
Artem Zhmurov
Unify CUDA and Ope
n
CL
lookup-table c
r
eation
commit
|
commitdiff
|
tree
2020-05-14
M
.
Eric I
r
rgang
Reduce
console log output from
s
a
mple_
r
e
s
tr
a
int
t
e
sts
.
commit
|
commitdiff
|
tree
2020-05-14
Ber
k
H
e
ss
Extract postProcessFor
c
eWithShiftF
o
rces()
commit
|
commitdiff
|
tree
2020-05-14
Paul B
a
uer
Avoi
d
CI errors fro
m
overloading resour
c
e
s
commit
|
commitdiff
|
tree
2020-05-12
Berk Hess
Extract helper force b
u
ffers to a separate class
commit
|
commitdiff
|
tree
2020-05-12
Berk Hess
Refac
t
or virt
u
al site in
t
erface
commit
|
commitdiff
|
tree
2020-05-12
P
a
ul Bauer
Fix ar
c
hi
v
e bu
i
ld
commit
|
commitdiff
|
tree
2020-05-06
P
a
u
l
Bauer
M
e
rge
b
ranc
h
'o
r
i
gin/rel
e
ase-2020' into
m
aster
commit
|
commitdiff
|
tree
2020-05-05
P
aul Bauer
Fix copyri
g
ht
commit
|
commitdiff
|
tree
2020-05-04
Paul B
a
u
er
U
se test conversio
n
script
f
rom source
commit
|
commitdiff
|
tree
2020-05-04
Paul Bau
e
r
Fi
x
incorrect hea
d
er
a
nd lint
e
r scri
p
ts
commit
|
commitdiff
|
tree
2020-05-04
P
ascal Mer
z
Catch errors in v-
r
escale an
d
Par
r
inello
-
Rahman checkpointing
commit
|
commitdiff
|
tree
2020-05-01
Paul Bauer
Prep
a
re
f
o
r 2020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
GR
O
MACS versio
n
2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
Paul Bau
e
r
Prin
t
ba
s
e
commit for
s
ource
l
inters
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Fi
x
incorrect header and linter scripts
commit
|
commitdiff
|
tree
2020-04-30
Mark Abra
h
am
Remove
b
undled Fin
d
CUDA
.
cmake
commit
|
commitdiff
|
tree
2020-04-30
Paul
B
a
uer
Disall
o
w com
b
ination of gcc > 9 and
I
BM_V
S
X
commit
|
commitdiff
|
tree
2020-04-30
Mar
k
Abraham
Fi
x
comp
i
ler fla
g
reporting
commit
|
commitdiff
|
tree
2020-04-29
M
a
rk Abraham
Update cmak
e
version
f
or docs contain
e
r
commit
|
commitdiff
|
tree
2020-04-29
P
aul Bauer
Print ba
s
e
c
o
mmit
f
or s
o
u
rce linters
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Use test conversion scri
p
t
from source
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Baseline co
m
mit
commit
|
commitdiff
|
tree
2020-04-27
Paul B
a
uer
B
ui
l
d pytho
n
pa
c
kage for documentatio
n
builds
commit
|
commitdiff
|
tree
2020-04-27
Paul Ba
u
er
Fix wa
r
ning for
r
e
t
urn type
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix bug in source ver
i
ficat
i
on
on Windows
commit
|
commitdiff
|
tree
2020-04-25
Paul Bauer
Use branch poin
t
a
lso
for fo
r
mat and copyright check
commit
|
commitdiff
|
tree
2020-04-25
M
.
Eric
Irrgang
Note CUDA
b
uil
d
s in job names
.
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
Make clang-tidy script more
r
o
b
u
st
commit
|
commitdiff
|
tree
2020-04-23
Paul
B
a
u
e
r
Fix
parall
e
l
testin
g
commit
|
commitdiff
|
tree
2020-04-23
Mar
k
Abraham
Fix
w
arning
s
for no-mpi build
commit
|
commitdiff
|
tree
2020-04-22
Paul Bauer
Copy of CI from
m
aster to
2
0
20
commit
|
commitdiff
|
tree
2020-04-17
Christian Blau
proposed fix for redmine bug #
3
4
0
3
commit
|
commitdiff
|
tree
2020-04-17
P
a
ul
B
auer
Fix check source no
t
p
a
rs
i
ng err
o
rs and
warnings corre
c
tly
commit
|
commitdiff
|
tree
2020-04-16
Mark Abrah
a
m
Introduce GMX_
U
SE_SIMD_K
E
RNELS cmake
o
ption
commit
|
commitdiff
|
tree
2020-04-16
Paul Bauer
Use GPU r
e
so
u
rces for build types again
commit
|
commitdiff
|
tree
2020-04-15
M
.
Eri
c
Ir
r
gang
Chang
e
default CMake version to 3
.
1
3
.
0 for CI
i
mages
.
commit
|
commitdiff
|
tree
2020-04-14
Mar
k
Abrah
a
m
F
ix more
clang
w
ar
n
ings
commit
|
commitdiff
|
tree
2020-04-14
M
.
Eric Irr
g
ang
Fi
x
invalid gitlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-04-13
Paul Bauer
Fix clang-tidy sc
r
ip
t
and code
i
ssue
commit
|
commitdiff
|
tree
2020-04-12
Szilárd Páll
F
ix clang
1
0
-Wimpli
c
it-int-float-conversi
o
n
w
arnings
commit
|
commitdiff
|
tree
2020-04-12
Mark
Abraham
Fin
i
sh removing ENCAD shifts and table
ge
n
era
t
io
n
commit
|
commitdiff
|
tree
2020-04-12
Ma
r
k Abraham
Update
t
o
c
l
ang-tidy-9
commit
|
commitdiff
|
tree
2020-04-10
Christoph Ju
n
gha
n
s
cm
a
ke: fix exported target
commit
|
commitdiff
|
tree
2020-04-06
Paul B
a
uer
Add AMD
i
m
age build, v2
commit
|
commitdiff
|
tree
2020-04-02
M
.
Eric Irrgang
M
oderniz
e
so
m
e P
y
tho
n
s
u
bproc
e
ss calls
.
commit
|
commitdiff
|
tree
2020-03-31
M
.
Eric Irrgang
Upd
a
t
e
scripts for al
l
of
the requested pre-commit
.
.
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric
Irrgang
C
o
mpartmentalize hpccm bui
l
d s
t
ages
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric Ir
r
g
ang
Be
fri
e
ndlier w
.
r
.
t
.
l
inkchecker
.
commit
|
commitdiff
|
tree
2020-03-23
Paul
B
a
uer
F
i
x
rel
e
ase bui
l
ds on Gi
t
lab
w
i
t
h
regressi
o
nt
e
sts
commit
|
commitdiff
|
tree
2020-03-23
M
.
Er
i
c
I
rrgang
Normalize some more
j
ob names
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Er
i
c Irrgan
g
Simplify ar
c
h
i
v
e
.
g
i
t
l
a
b-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
ri
c
Irrgang
Remove r
e
dund
a
nt jobs
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
ric Irrgang
Fix du
p
licate
variables parameter
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrga
n
g
Add req
u
ired Infrastructure fo
r
Gitlab merges
commit
|
commitdiff
|
tree
2020-03-23
M
.
Er
i
c Ir
r
gang
Normalize naming for gromac
s
bui
l
d/testing jo
b
s
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
Remove some
u
n
neces
s
a
r
y indirection in job definitions
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
Consolida
t
e
.
use-clangX CI
j
ob mix-in
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
C
o
nsolidat
e
.
use-
g
ccX CI job
m
ix
-
i
n
.
commit
|
commitdiff
|
tree
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