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Make Cygwin build work
2020-05-29
Mark Abraham
Make Cygwin bui
l
d w
o
rk
commit
|
commitdiff
|
tree
2020-04-30
Mark Abrah
a
m
R
e
move bundled FindCUDA
.
cmak
e
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fix compiler flag rep
o
r
ting
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
Abraham
U
pd
a
t
e
cmak
e
version f
o
r docs container
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Bas
e
line commit
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
Abraham
Fixed several clang-tidy
issues
commit
|
commitdiff
|
tree
2020-04-27
Mark
Abrah
a
m
Im
p
roved
some logic in
do_fo
r
ce
commit
|
commitdiff
|
tree
2020-04-25
Mark Abraham
M
ove co
n
fig
u
ra
t
io
n
of global headers
commit
|
commitdiff
|
tree
2020-04-23
Ma
r
k
Abraham
Mark HWLOC cmake cach
e
v
ari
a
ble
a
s
advanced
commit
|
commitdiff
|
tree
2020-04-23
M
a
rk Abraham
Fix
w
arnings for no-mpi
build
commit
|
commitdiff
|
tree
2020-04-21
Mark A
b
raham
Fix warnings
w
ith cla
n
g 9
commit
|
commitdiff
|
tree
2020-04-16
Mar
k
Abraham
Intr
o
du
c
e
GMX
_
USE
_
SIMD_KERNELS cmake
option
commit
|
commitdiff
|
tree
2020-04-14
Mar
k
A
braham
Fix more
clang warnings
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraham
Fix warnings for
no-mpi build
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Removed unus
e
d
v
a
riable in force t
a
ble generati
o
n
commit
|
commitdiff
|
tree
2020-04-12
Mark Abra
h
am
Finis
h
removing
E
NCAD shifts and tab
l
e gener
a
ti
o
n
commit
|
commitdiff
|
tree
2020-04-12
Mark
A
br
a
ham
Update to clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-08
M
ark
Abr
a
h
am
F
i
xes f
o
r
clang-ti
d
y
-
9
commit
|
commitdiff
|
tree
2020-04-07
Mark Abraham
Rep
l
a
ce EnumOpti
o
n
with Enumer
a
tionArrayOption
commit
|
commitdiff
|
tree
2020-04-01
Mark
A
braham
Fix minor bug with
tools time-u
n
it conver
s
ions
commit
|
commitdiff
|
tree
2020-03-30
Mark Abraham
Set
b
u
f
fers appropr
i
a
t
ely so
.
x
pm fil
e
s can be
rea
d
.
commit
|
commitdiff
|
tree
2020-03-18
M
ark
A
braham
F
ix unused variable
in PME Ope
n
CL kerne
l
commit
|
commitdiff
|
tree
2020-03-18
Mark Abraham
Simplify PME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark
A
braham
Move testing code t
o
test director
y
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
Require padded atom da
t
a for
PME GP
U
commit
|
commitdiff
|
tree
2020-03-09
Mark Abraham
Consolida
t
e P
M
E GPU s
p
li
n
e infr
a
struc
t
ure
commit
|
commitdiff
|
tree
2020-03-06
M
ark Ab
r
aham
Simplify compiling GPU code
for tests
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Sim
p
li
f
y PME step
wo
r
kload m
a
nagement
commit
|
commitdiff
|
tree
2020-03-04
M
a
rk Abraham
Impr
o
v
e
T
PI handling
commit
|
commitdiff
|
tree
2020-02-23
Mar
k
Abra
h
am
Removed unused PME
gather func
t
io
n
ality
commit
|
commitdiff
|
tree
2020-02-18
Mark A
b
r
a
ham
Added more docs and tests to Enumeratio
n
Arr
a
y
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Upd
a
te
s
ome
nbnxm kernel co
n
s
tants to conste
x
pr
commit
|
commitdiff
|
tree
2020-01-27
Mark
Abraham
Remove element-size membe
r
field
s
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Make NbnxnGpu class
w
it
h
constructor
commit
|
commitdiff
|
tree
2020-01-17
Mark
A
b
raham
Regul
a
rize n
b
nxm modu
l
e do
x
ygen
commit
|
commitdiff
|
tree
2020-01-16
Mar
k
A
b
raham
Mak
e
nbnxm headers mo
r
e self-contained
commit
|
commitdiff
|
tree
2020-01-09
Mark A
b
raha
m
Clean up ewald mo
d
ule internals
commit
|
commitdiff
|
tree
2020-01-09
M
a
r
k Ab
r
aham
Split lines with many
c
opyr
i
ght years
commit
|
commitdiff
|
tree
2019-12-31
Mar
k
Abraham
Avoid 386 O3 codegen bug even
more
commit
|
commitdiff
|
tree
2019-12-30
Mark Ab
r
aham
Tests tha
t
verify se
r
iali
z
e
r
behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Remove use
o
f tupl
e
in LINCS code for GPU implementati
o
n
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
R
emove
GMX_CYCLECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
braham
M
e
r
ge "Merg
e
o
r
i
gin/release-2019 into release-20
2
0
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abr
a
ham
Re
m
ove support for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
M
a
r
k Abraham
Stop testing
ARMv
7
commit
|
commitdiff
|
tree
2019-12-17
Mar
k
Abraham
Fix that
t
e
s
t
s
intended
f
or multipl
e
ranks run that way
commit
|
commitdiff
|
tree
2019-12-14
M
a
rk Abrah
a
m
Simplify gmxapi RPATH h
a
ndling
commit
|
commitdiff
|
tree
2019-12-12
Mark Abraham
Merge
"Merge branch 'o
r
igin/r
e
lease-
2
0
2
0
' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark
Abraham
Document D
O
M
AINDECOMP(cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
Mark Abraham
Simplify gmxapi RPAT
H
hand
l
in
g
commit
|
commitdiff
|
tree
2019-12-06
Mark A
b
r
a
ham
A
v
oid 386 O3 codeg
e
n b
u
g
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk Abra
h
am
Provid
e
m
ore
f
eedback
w
hen l
i
st
e
d forces tests fai
l
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Adde
d
OpenCL bui
l
d to
release matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Removed
u
nne
c
essary link_dire
c
tories co
m
mand fo
r
gtest
commit
|
commitdiff
|
tree
2019-12-01
M
ark Abraham
Furth
e
r impr
o
ve taska
s
signment
exception handling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abraham
M
e
rge
b
ran
c
h release-2019 into r
e
lease-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark
Abraha
m
Disable
GPU PME
-
PP communication
w
ith mdrun
-
pme
f
ft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Improve han
d
ling of task
-
ass
i
gnme
n
t
exception
s
commit
|
commitdiff
|
tree
2019-11-26
Mark Abra
h
am
Relax t
o
lerance for bd test
s
commit
|
commitdiff
|
tree
2019-11-21
Mark Abrah
a
m
Mer
g
e branch release-20
2
0
commit
|
commitdiff
|
tree
2019-11-21
Mark Abrah
a
m
Ne
w
c
o
ol quo
t
e
commit
|
commitdiff
|
tree
2019-11-20
Mark Abraha
m
Quiet
uni
n
i
tialized
variable war
n
ing w
i
t
h
clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Up
d
ated release note
s
for CODA
T
A update
commit
|
commitdiff
|
tree
2019-11-16
M
a
rk Abraham
Relaxed l
i
ste
d
forces test tolerances
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Stop
t
esting that hwloc
cache-size d
e
tec
t
ion
works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mar
k
Abraham
Tests for valid periodic actions
commit
|
commitdiff
|
tree
2019-10-13
M
a
rk
A
b
r
aham
Ensure
e
n
vironment variable u
s
e
does
n
o
t
g
ive w
a
rnings
commit
|
commitdiff
|
tree
2019-10-07
Mark
Abr
a
ha
m
Extend GPU traits cla
s
s
commit
|
commitdiff
|
tree
2019-10-04
Mark Abraham
Fix t
h
at test
s
intended f
o
r m
u
ltiple rank
s
run
t
h
at way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abra
h
am
I
m
prove PME te
s
t
ing
commit
|
commitdiff
|
tree
2019-10-01
M
a
rk A
b
raham
Move GPU
t
ask assignment
commit
|
commitdiff
|
tree
2019-10-01
M
ark Abr
a
ham
Fix
icc w
a
rnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Rem
o
v
e
d d
e
pendency
on commrec of mdrun
setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abr
a
ham
M
a
ke a bu
i
lder for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Improve
MiMiC test impleme
n
ta
t
io
n
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abraham
Stop
c
hecking CUD
A
v
ersion rep
o
r
ted
by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abr
a
ham
Fix
g
ro file output wi
t
h in
d
e
x
groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abra
h
am
A
d
d tes
t
s
f
or editconf fi
l
e
c
onve
r
sion with i
n
d
exing
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro f
i
le output with
i
n
d
ex grou
p
s
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
R
emove left
o
v
e
r suppor
t
for pre-9
.
0 CUD
A
commit
|
commitdiff
|
tree
2019-09-25
Mark Ab
r
aham
Fi
x
log fil
e
flag o
u
tput
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k Abr
a
ham
Fix no-MPI
C
UDA build
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
M
e
r
g
e
"Merg
e
bran
c
h rele
a
se-2019 into
m
a
ster"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix cl
a
ng unused-f
u
ncti
o
n warnings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
F
ix
e
s t
o
broken CUDA
co
m
piler
f
l
a
gs
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
F
i
x 1D-1pulse
s
upport
commit
|
commitdiff
|
tree
2019-09-20
Mark A
b
rah
a
m
Refa
c
t
o
r to cre
a
te
a
Gp
u
TaskAssignments object
commit
|
commitdiff
|
tree
2019-09-19
Mark Abra
h
am
Use
G
PU halo excha
n
ge only
w
hen
compatible DD is a
v
aila
b
l
e
commit
|
commitdiff
|
tree
2019-09-19
Mark A
b
raha
m
Further impr
o
ve getD
D
G
r
idSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark Abraham
A
void short-ran
g
e
GPU ope
r
a
t
ions with no
work
commit
|
commitdiff
|
tree
2019-09-12
Mark A
b
raham
Di
s
able report-metho
d
s e
n
d-to-end test
commit
|
commitdiff
|
tree
2019-09-11
Mark A
b
ra
h
am
Make gmx_multisim_t a
C
++ ob
j
e
c
t
commit
|
commitdiff
|
tree
2019-09-11
M
ark
A
b
r
aham
Fix multi-sim restart
handl
i
ng
in corn
e
r cases
commit
|
commitdiff
|
tree
2019-09-10
Ma
r
k A
b
raham
A
vo
i
d warning in no-mp
i
build
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use more
R
AII semantics wit
h
t_
c
ommrec
commit
|
commitdiff
|
tree
2019-09-06
Mark Ab
r
aha
m
Clean up co
m
mr
e
c uniformly
commit
|
commitdiff
|
tree
2019-09-05
Mark Abr
a
ham
U
p
da
t
e mdrun
t
e
st c
o
mparison
i
n
frastr
u
cture
commit
|
commitdiff
|
tree
2019-09-03
Mark
A
braham
Simplify
e
n
e
r
gy-file comparisons in
tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Mov
e
initialization of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark A
b
raham
Fi
x
build
matr
i
ces
commit
|
commitdiff
|
tree
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