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Tests that verify serializer behaviours
2019-12-30
Mark Abra
h
am
T
ests that verify serialize
r
behaviour
s
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Remove use
o
f tup
l
e i
n
LINCS
c
ode for GPU i
m
plementation
commit
|
commitdiff
|
tree
2019-12-28
M
a
rk
A
braham
Me
r
ge "Mer
g
e ori
g
in/release-201
9
i
n
t
o releas
e
-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-17
Mark Abraham
F
i
x that tests intende
d
for multiple ranks run
t
hat way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraha
m
Simpl
i
fy gmx
a
p
i
R
PATH handling
commit
|
commitdiff
|
tree
2019-12-11
M
a
r
k
Abraham
Docu
m
ent DOMAINDECOMP(cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
M
a
rk Abraham
S
i
mplify
gmxapi RPATH
han
d
ling
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Avo
i
d 386 O3 codegen bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraha
m
Provide
more fe
e
d
b
ack whe
n
listed for
c
es tests fai
l
commit
|
commitdiff
|
tree
2019-12-04
Ma
r
k Abraham
Added O
p
enCL b
u
ild to release matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Removed unnecessary link_directorie
s
command
f
or
gtes
t
commit
|
commitdiff
|
tree
2019-12-01
Mark Abraham
F
urther
improve tas
k
assignment exception handling
commit
|
commitdiff
|
tree
2019-11-29
Mark
A
brah
a
m
Merge branc
h
release-
2
019 into relea
s
e-2020
commit
|
commitdiff
|
tree
2019-11-27
Mar
k
Abraham
Disable GPU PME
-
PP communicati
o
n with mdrun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
M
a
rk Abrah
a
m
I
mprove han
d
ling
o
f task-assignment exceptions
commit
|
commitdiff
|
tree
2019-11-26
M
a
rk Abraham
Rela
x
tolerance for
b
d te
s
ts
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
New
c
o
o
l
q
u
ote
commit
|
commitdiff
|
tree
2019-11-20
Mark Abraham
Quiet uninitialized variable warnin
g
with cla
n
g 9
commit
|
commitdiff
|
tree
2019-11-19
Mark
A
braham
Updated re
l
ease
n
ote
s
for
COD
A
TA update
commit
|
commitdiff
|
tree
2019-11-16
Mark Abra
h
a
m
Relaxed
l
i
st
e
d forces te
s
t tolerance
s
commit
|
commitdiff
|
tree
2019-11-16
Mark Abra
h
am
Stop
t
esting that hwloc cache-si
z
e
det
e
c
t
i
on wor
k
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
M
a
r
k Abraham
Tests for valid pe
r
i
od
i
c actions
commit
|
commitdiff
|
tree
2019-10-13
M
a
r
k
Abra
h
am
Ensure en
v
ironment
va
r
iable use does not give warn
i
ngs
commit
|
commitdiff
|
tree
2019-10-07
Mar
k
Abraham
E
x
tend GPU traits
c
l
a
s
s
commit
|
commitdiff
|
tree
2019-10-04
Mark Abraham
Fix that
t
es
t
s
inte
n
ded for mu
l
tiple ranks r
u
n that way
commit
|
commitdiff
|
tree
2019-10-02
Ma
r
k Abraham
Improve PME
t
esting
commit
|
commitdiff
|
tree
2019-10-01
Mark Abr
a
ha
m
Move GPU task ass
i
gnment
commit
|
commitdiff
|
tree
2019-10-01
Mar
k
Abrah
a
m
Fix icc w
a
rning
s
commit
|
commitdiff
|
tree
2019-10-01
M
a
r
k A
b
r
ah
a
m
Removed
depende
n
cy on commrec of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
Ma
r
k Abrah
a
m
Make a
bu
i
lder for
D
D
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraham
I
m
p
r
o
v
e MiMiC test implemen
t
ati
o
n
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
S
t
op c
h
ecking CUDA ver
s
ion repor
t
ed by nv
c
c
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraham
Fix gro file output
with index g
r
oups
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k
Abraham
Add
t
e
s
ts
f
or editconf file con
v
ersion with index
i
n
g
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
braha
m
Fix gro file outpu
t
w
i
th ind
e
x groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Remove lefto
v
e
r s
u
pport f
o
r
pre-9
.
0
CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abr
a
ha
m
F
ix log
fi
l
e
f
lag outpu
t
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
Abraha
m
F
i
x no-M
P
I
C
UDA bu
i
ld
commit
|
commitdiff
|
tree
2019-09-24
Mark
Abraham
M
e
rge "Mer
g
e branch release
-
20
1
9 i
n
to master"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abr
a
h
a
m
Fix
c
lang
unused-functi
o
n warning
s
commit
|
commitdiff
|
tree
2019-09-23
Mark Abr
a
h
a
m
Fi
x
es t
o
br
o
ken CUD
A
compiler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark Abr
a
ham
Fix
1
D-
1
pulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Abraham
R
e
factor to cr
e
ate a GpuTask
A
ssignments objec
t
commit
|
commitdiff
|
tree
2019-09-19
Mark Abr
a
h
a
m
Use
GPU halo e
x
cha
n
ge only when compa
t
ible D
D
is available
commit
|
commitdiff
|
tree
2019-09-19
M
a
rk Abraha
m
Further improve
getDD
G
ridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abraham
A
v
oid
s
h
o
r
t-range G
P
U operations wit
h
no wor
k
commit
|
commitdiff
|
tree
2019-09-12
Mark
A
b
rah
a
m
D
isable
repo
r
t
-
methods end-to-end t
e
s
t
commit
|
commitdiff
|
tree
2019-09-11
M
a
r
k Abraham
M
ake gmx_mult
i
sim_t a C++ object
commit
|
commitdiff
|
tree
2019-09-11
Mark Abr
a
ham
F
ix multi-sim res
t
art handl
i
n
g
in corn
e
r c
a
se
s
commit
|
commitdiff
|
tree
2019-09-10
Mark A
b
raham
A
void
w
a
r
ning in no-mpi b
u
ild
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use more
R
A
II
semantics with
t
_co
m
mrec
commit
|
commitdiff
|
tree
2019-09-06
M
a
rk A
b
r
a
h
a
m
C
lea
n
up commrec unifor
m
ly
commit
|
commitdiff
|
tree
2019-09-05
Mark Abra
h
am
Updat
e
mdrun test comparison
infra
s
t
ruct
u
r
e
commit
|
commitdiff
|
tree
2019-09-03
Mark A
b
raham
Sim
p
lify
e
nergy-file compariso
n
s in test
s
commit
|
commitdiff
|
tree
2019-09-02
Mark
Abraham
M
ove in
i
tialization
of clF
F
T
commit
|
commitdiff
|
tree
2019-08-30
M
ark A
b
rah
a
m
Fix build
matrices
commit
|
commitdiff
|
tree
2019-08-29
M
ark
A
braham
More quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark
Abraham
Fix int
e
grat
i
on issues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abrah
a
m
Improve
d
usabilit
y
of g
r
o
mp
p
by rejecting more
i
nvalid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark Abraha
m
Add integration
tests for
e
xact r
e
s
tarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Make FEP rerun tests c
o
ver the intended lambda space
commit
|
commitdiff
|
tree
2019-08-26
Mark Abra
h
am
Converted a CUDA
con
f
ig t
o
use
c
lang
h
o
st-only
compil
a
ti
o
n
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Fix
pair
l
ist bug
commit
|
commitdiff
|
tree
2019-08-23
Ma
r
k Abr
a
ham
Update clang-tidy t
o
clang ver
s
ion 8
commit
|
commitdiff
|
tree
2019-08-22
M
a
rk Abraham
Mer
g
e branch rel
e
ase-2
0
19
commit
|
commitdiff
|
tree
2019-08-22
Mark
A
br
a
h
am
I
mprove clang-analyzer build time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraha
m
Fix re
l
e
a
se matrix
commit
|
commitdiff
|
tree
2019-08-21
M
a
rk
Abraha
m
Improve organi
z
ation
of LINCS repo
r
t
in
g
commit
|
commitdiff
|
tree
2019-08-20
Mark Ab
r
aham
Apply cl
a
ng-
t
i
dy-
8
readability-uppercase-lit
e
ral-su
f
fix
commit
|
commitdiff
|
tree
2019-08-20
M
ark
Abra
h
am
U
s
e p
o
t
e
ntial-shift as def
a
ult
m
odifier
commit
|
commitdiff
|
tree
2019-08-20
Ma
r
k
Abraham
R
e
d
u
ce
c
osi
n
e acceleration
quantity p
r
op
e
rly
commit
|
commitdiff
|
tree
2019-08-20
Mark
Abraham
Fix is
s
ue
s
for cl
a
ng-
a
n
a
l
yzer-8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abra
h
am
Moderniz
e
t_
m
atrix
,
t_mapping,
t
_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Ab
r
aham
M
o
dernize t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Ma
r
k
A
bra
h
am
Update t
e
s
t
ing
ma
t
ric
e
s and fix
warnings
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Move keyvaluetreewriter code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
St
o
p nbnxm/grid
.
h depend
i
n
g
o
n
SIMD mo
d
ule
commit
|
commitdiff
|
tree
2019-08-15
Mark Ab
r
aham
Remo
v
e run-ti
m
e chec
k
from
c
al
c
_shif
t
s
commit
|
commitdiff
|
tree
2019-08-14
Mark Abra
h
a
m
Fix vv integrato
r
s
commit
|
commitdiff
|
tree
2019-08-13
Ma
r
k Abraham
R
emove
w
orkaroun
d
for
b
u
ggy cmake
commit
|
commitdiff
|
tree
2019-08-13
Mark Abra
h
am
Fix icc 19 codegen issue
commit
|
commitdiff
|
tree
2019-08-12
M
a
rk Abraham
Quiet wa
r
ni
n
g
commit
|
commitdiff
|
tree
2019-08-12
Mar
k
Abraham
Fix
ocl_ker
n
el target
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
F
ix esti
m
ate of the size of a j li
s
t
commit
|
commitdiff
|
tree
2019-08-08
Mark A
b
raham
Initiali
z
e gmx
_
e
k
indata_t
a
nd t_vcm properly
commit
|
commitdiff
|
tree
2019-08-08
M
a
rk Abraham
Stop testing
I
CC on Windows
commit
|
commitdiff
|
tree
2019-08-06
Ma
r
k A
b
r
aham
Fix for MSVC+CUDA
commit
|
commitdiff
|
tree
2019-08-05
Ma
r
k Abr
a
h
a
m
A
dd quo
t
e
commit
|
commitdiff
|
tree
2019-08-05
Mark Abrah
a
m
R
emove libgromacs_ge
n
erated contributions from FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark A
b
raha
m
Manage co
m
piler f
l
ags and some inc
l
ude option
s
pe
r
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
M
a
r
k
Ab
r
aham
Improve
u
se of object li
b
raries in lib
g
romacs
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Merge "Merge releas
e
-2019 into
m
aster"
commit
|
commitdiff
|
tree
2019-07-24
Mark Ab
r
a
ham
Remove test
s
of ma
k
e_unique
commit
|
commitdiff
|
tree
2019-07-23
Mark Abrah
a
m
Update
d
e
v
eloper guide
commit
|
commitdiff
|
tree
2019-07-16
M
ark
Abra
h
a
m
Add gpub
u
fferops test mat
r
i
x
commit
|
commitdiff
|
tree
2019-07-11
Mark
A
bra
h
a
m
Fix pre-submit b
u
ild mat
r
ix
and
d
escr
i
ption
commit
|
commitdiff
|
tree
2019-07-08
Mark Abraham
F
i
x h
w
l
o
c
and sphin
x
d
e
tec
t
io
n
commit
|
commitdiff
|
tree
2019-07-08
M
ark Ab
r
aham
Test specific hwloc versions
commit
|
commitdiff
|
tree
2019-07-05
Mar
k
Abraha
m
Improve t
e
s
t
s o
f
index blo
c
k cons
t
ruct
i
on
commit
|
commitdiff
|
tree
2019-07-05
M
a
rk Ab
r
aham
Modernize
Fi
n
dHwlo
c
.
cmake
commit
|
commitdiff
|
tree
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