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Move GPU task assignment
2019-10-01
Mark Abr
a
ham
Mov
e
G
PU ta
s
k assignment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Fix icc warni
n
gs
commit
|
commitdiff
|
tree
2019-10-01
M
a
rk Abraham
Removed
depend
e
ncy
on commrec of mdrun
s
e
tup
commit
|
commitdiff
|
tree
2019-09-30
Mark
A
braham
Make a builder
f
o
r DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Improve M
i
MiC test implementation
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abrah
a
m
Stop checking CUDA version reported by nvcc
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk
A
braham
Fix gro file
o
utput with inde
x
grou
p
s
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraham
Add
tests for editco
n
f file conversion wi
t
h index
i
ng
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Remo
v
e leftover s
u
pport for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
Abraham
Fix
l
o
g
file
f
l
ag outp
u
t
commit
|
commitdiff
|
tree
2019-09-24
Mark
A
b
r
a
h
am
Fix no
-
MPI CUDA b
u
ild
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
Abrah
a
m
Mer
g
e
"Merge br
a
nch
r
ele
a
s
e
-
2019 into
m
aster"
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
Abraham
Fix
c
lang unu
s
e
d
-
function warni
n
gs
commit
|
commitdiff
|
tree
2019-09-23
M
a
rk Abraham
F
ix
e
s to br
o
ken CUDA c
o
m
piler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fix 1D-1pulse support
commit
|
commitdiff
|
tree
2019-09-20
M
ark Abr
a
ham
R
efactor to create a GpuTaskAssign
m
e
nts object
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
Use GPU halo exc
h
ange only
w
hen com
p
atible DD is
a
vailable
commit
|
commitdiff
|
tree
2019-09-19
Mark Abr
a
h
a
m
Further
i
mprove get
D
D
Grid
S
etu
p
commit
|
commitdiff
|
tree
2019-09-16
Mark
Abraham
A
void sh
o
rt-range GPU operations with no w
o
rk
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraham
Disable repor
t
-methods en
d
-to-
e
nd test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abr
a
ham
Mak
e
gmx_multisim_t
a
C++ o
b
ject
commit
|
commitdiff
|
tree
2019-09-11
Mark A
b
ra
h
am
Fix multi-sim restart hand
l
ing in corner case
s
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Avoid wa
r
ni
n
g in no-
m
pi build
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use mo
r
e RAII semanti
c
s
with
t
_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mar
k
A
braham
Cle
a
n up co
m
mrec uniformly
commit
|
commitdiff
|
tree
2019-09-05
M
ark
Ab
r
ah
a
m
Up
d
ate mdrun test comparison i
n
fra
s
t
r
uctur
e
commit
|
commitdiff
|
tree
2019-09-03
Mark Abraham
Simplify energy-fil
e
compari
s
ons in te
s
t
s
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
M
o
ve
initializat
i
on o
f
clFFT
commit
|
commitdiff
|
tree
2019-08-30
M
a
rk
Abraham
Fix
b
u
ild matrices
commit
|
commitdiff
|
tree
2019-08-29
Mark Abr
a
ham
More quotes
commit
|
commitdiff
|
tree
2019-08-28
Ma
r
k
Abraham
Fix integration issues
commit
|
commitdiff
|
tree
2019-08-28
Mark Abraham
I
m
proved usabil
i
t
y
o
f grompp by rejecting
m
ore inval
i
d
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Ma
r
k Abra
h
am
Ad
d
integra
t
ion
t
ests for exact restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Make F
E
P
r
e
run tests cover
t
he intend
e
d
lambda s
p
ace
commit
|
commitdiff
|
tree
2019-08-26
M
a
rk A
b
raham
C
onverted a CUDA config t
o
use clang
h
ost-o
n
l
y
compilatio
n
commit
|
commitdiff
|
tree
2019-08-26
M
ark Abraham
Fix
p
a
i
r
l
ist bug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
Update clan
g
-tidy t
o
cl
a
ng
versi
o
n 8
commit
|
commitdiff
|
tree
2019-08-22
M
a
rk Abraham
Merge
b
ra
n
ch release-20
1
9
commit
|
commitdiff
|
tree
2019-08-22
Mark A
b
rah
a
m
I
m
prove clang-analyzer build time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraha
m
Fix releas
e
matrix
commit
|
commitdiff
|
tree
2019-08-21
M
ark Abrah
a
m
Imp
r
ove organ
i
zation of LINCS repo
r
ting
commit
|
commitdiff
|
tree
2019-08-20
M
a
rk Abraham
Apply clang-tidy-8 re
a
d
a
b
i
lity-up
p
e
r
cas
e
-litera
l
-suf
f
ix
commit
|
commitdiff
|
tree
2019-08-20
Mar
k
Abr
a
ham
Use poten
t
ial-shift as default modifier
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Reduce
co
s
ine acceleration quantit
y
properly
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Fix issues for clang-
a
n
alyz
e
r-8
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
Modern
i
ze
t_ma
t
rix, t_mapping,
t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark
A
b
r
aham
Mode
r
n
i
ze t_p
s
data
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Update testing matrices and fix warni
n
gs
commit
|
commitdiff
|
tree
2019-08-16
Mark
Abraham
Move keyv
a
luetreewriter code
commit
|
commitdiff
|
tree
2019-08-16
M
ark Abr
a
ha
m
Stop nbnxm/grid
.
h d
e
p
e
nding on SI
M
D module
commit
|
commitdiff
|
tree
2019-08-15
Mark Abraham
Remove
run-
t
ime c
h
eck from
c
alc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark
Abraha
m
Fix vv
integrators
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
R
e
m
ove workarou
n
d for buggy
c
make
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Fix icc 19 codegen
i
ssue
commit
|
commitdiff
|
tree
2019-08-12
Ma
r
k Abraham
Quiet warning
commit
|
commitdiff
|
tree
2019-08-12
M
a
rk Abra
h
am
F
ix ocl_kernel target
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Fix e
s
tim
a
te of
t
he s
i
z
e
of a j list
commit
|
commitdiff
|
tree
2019-08-08
Mark
Abrah
a
m
Initia
l
ize gmx
_
e
kindata
_
t
and
t
_vcm prop
e
rl
y
commit
|
commitdiff
|
tree
2019-08-08
M
a
r
k Abraha
m
S
t
o
p t
e
sting ICC on Windows
commit
|
commitdiff
|
tree
2019-08-06
M
a
rk Abraham
Fix for
M
SV
C
+
C
UDA
commit
|
commitdiff
|
tree
2019-08-05
M
a
rk Abra
h
am
Add quote
commit
|
commitdiff
|
tree
2019-08-05
Ma
r
k Abraham
Remove libgromacs_generated
c
ontri
b
utions fr
o
m Fin
d
CUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mar
k
Abr
a
ham
Manage compiler f
l
ags and som
e
incl
u
de
op
t
i
ons per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Improve
u
se of object libraries
in libgromacs
commit
|
commitdiff
|
tree
2019-08-01
Mar
k
Abra
h
am
M
e
r
g
e "Merge r
e
l
ease-2019 into master"
commit
|
commitdiff
|
tree
2019-07-24
Mark Abraha
m
Remove tests of make
_
unique
commit
|
commitdiff
|
tree
2019-07-23
Mark Abr
a
ha
m
Update deve
l
o
per guide
commit
|
commitdiff
|
tree
2019-07-16
Mark Abraham
Add
g
pubufferops test m
a
trix
commit
|
commitdiff
|
tree
2019-07-11
M
a
rk Abr
a
h
am
Fix pre
-
submit b
u
ild
matr
i
x and description
commit
|
commitdiff
|
tree
2019-07-08
Mark Abraham
Fix hwloc and sphinx d
e
t
e
ction
commit
|
commitdiff
|
tree
2019-07-08
Mark
Abr
a
ha
m
Test specifi
c
hwloc versions
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Improve tests of index bl
o
ck construction
commit
|
commitdiff
|
tree
2019-07-05
M
a
rk Abraham
M
odernize
FindHwloc
.
cm
a
ke
commit
|
commitdiff
|
tree
2019-07-04
Mark Abraha
m
Furth
e
r clang-tidy-7 fix
commit
|
commitdiff
|
tree
2019-07-04
Mark Abraham
Fix clang-t
i
dy-7 issues
commit
|
commitdiff
|
tree
2019-07-03
M
a
r
k Abrah
a
m
Re
o
rder optio
n
s
commit
|
commitdiff
|
tree
2019-07-02
Mark Ab
r
aham
Cl
a
rify wo
r
ding
o
f
rele
a
se notes
commit
|
commitdiff
|
tree
2019-06-18
M
ark Abraham
Move code handling mdrun
-gpu_id to taskassignment
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
Mar
k
Abraham
Fi
x
pyg
m
en
t
s detectio
n
for sphinx for doc
s
bu
i
l
d
commit
|
commitdiff
|
tree
2019-06-11
Mark Abrah
a
m
Use RAII approaches for hardware information
d
etec
t
ion
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
C
l
ean u
p
multi
s
im, c
o
mmunication,
a
nd REMD code
commit
|
commitdiff
|
tree
2019-06-11
M
ark Abr
a
ham
Initialize all
o
f
gmx_domdec_c
o
mm_t
commit
|
commitdiff
|
tree
2019-05-24
Mark Abraham
Reo
r
de
r
code
b
e
f
ore thread-MPI spawns threads
commit
|
commitdiff
|
tree
2019-05-23
M
a
r
k
Abraham
Teach ArrayRefWithPadding to ma
k
e
a c
o
nst f
l
av
o
ur
commit
|
commitdiff
|
tree
2019-05-23
Ma
r
k Abraham
R
ev
e
rt "Fixed dvdlambda for SHAKE + FE"
commit
|
commitdiff
|
tree
2019-05-22
Mark A
b
raham
Rewr
i
t
e
starti
n
g behavio
r
commit
|
commitdiff
|
tree
2019-05-22
Mark Abraham
Introduce tri-state enums for
r
estarts
commit
|
commitdiff
|
tree
2019-05-22
Mark Ab
r
a
ham
Move fun
c
tio
n
ality to mdr
u
n
uti
l
ity
commit
|
commitdiff
|
tree
2019-05-20
Mark Abraham
F
i
x equation typo
commit
|
commitdiff
|
tree
2019-05-14
Mar
k
Abra
h
am
Update infrastru
c
tu
r
e needed for res
t
art rewrite
commit
|
commitdiff
|
tree
2019-05-08
M
ark
A
b
raham
Provide h
o
ok for forks of GROMACS
to descri
b
e themselves
commit
|
commitdiff
|
tree
2019-05-07
Mark Ab
r
aham
P
rovide better help for usi
n
g libc+
+
commit
|
commitdiff
|
tree
2019-05-07
Mark
A
braham
Add an exam
p
le
of usin
g
an MPI wrapper compil
e
r
commit
|
commitdiff
|
tree
2019-05-06
M
a
r
k
Abra
h
a
m
Imp
r
ove how mdr
u
n -noappend names output files
commit
|
commitdiff
|
tree
2019-05-03
M
a
r
k
A
b
raham
M
o
re
t
e
sts for how mdrun -cp
i
rest
a
rts
h
a
ndle files
commit
|
commitdiff
|
tree
2019-05-02
M
a
rk
A
brah
a
m
Enhance
p
ath sear
c
h fun
c
t
i
o
n
s
commit
|
commitdiff
|
tree
2019-04-30
Mark Abraham
T
e
st t
h
e output of "gmx
m
drun help"
commit
|
commitdiff
|
tree
2019-04-25
Mark Abraham
U
pda
t
e
style guide
a
bout class enums
commit
|
commitdiff
|
tree
2019-04-23
M
a
r
k
Abraham
Clari
f
y pushing o
f
i
n
t
era
c
tion types
commit
|
commitdiff
|
tree
2019-04-23
M
ark Abraham
U
p
dated
clang -Wev
e
rything ch
e
cks to clang
-
7
commit
|
commitdiff
|
tree
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