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Fix release build warning
2020-08-07
Mark
Ab
r
aham
F
i
x
r
elease bu
i
ld warnin
g
commit
|
commitdiff
|
tree
2020-08-06
Mark Abraham
Ke
e
p a
l
l the infra a
n
d
the user happy
commit
|
commitdiff
|
tree
2020-08-06
Mark Abraham
Upd
a
t
e
min
i
m
um tested
C
U
DA to 11
.
0
commit
|
commitdiff
|
tree
2020-07-31
M
a
r
k A
b
raham
Move code to p
r
epare for multi
s
im class
commit
|
commitdiff
|
tree
2020-07-31
Mark
A
b
r
a
ham
R
elea
s
e configs were using
a wro
n
g build t
y
pe
commit
|
commitdiff
|
tree
2020-07-27
Ma
r
k
Ab
r
aha
m
F
i
x
w
arn
i
ng
s
in rel
e
ase
b
u
ilds
commit
|
commitdiff
|
tree
2020-07-27
Ma
r
k Abr
a
ham
Fix RDTSCP
h
and
l
ing
commit
|
commitdiff
|
tree
2020-07-15
M
a
rk Abraham
D
i
vide default communicator from D
D
communic
a
tors
commit
|
commitdiff
|
tree
2020-07-08
M
ark Abraham
Fix
issues found with clang-tidy
commit
|
commitdiff
|
tree
2020-06-25
Mark Abraha
m
Rest
o
r
ed the
c
o
m
me
n
t
commit
|
commitdiff
|
tree
2020-06-23
Ma
r
k Abraham
WIP:
Finish remov
i
ng compile_cp
p
_as
_
cuda
commit
|
commitdiff
|
tree
2020-06-01
Mark Abraham
Fix atomi
c
s
configure test
commit
|
commitdiff
|
tree
2020-05-29
Mark Ab
r
aham
Make Cygwin build work
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
R
e
move bundled
F
in
d
CUDA
.
cmake
commit
|
commitdiff
|
tree
2020-04-30
Mark Abrah
a
m
Fix compiler flag
r
e
p
o
rting
commit
|
commitdiff
|
tree
2020-04-29
Mark Abr
a
h
a
m
Update cma
k
e version for docs container
commit
|
commitdiff
|
tree
2020-04-29
Mark Ab
r
aham
B
a
seline commit
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
Abraham
Fixed several clang-tidy issues
commit
|
commitdiff
|
tree
2020-04-27
Mark
Abraha
m
Improved
so
m
e logic in do_force
commit
|
commitdiff
|
tree
2020-04-25
Mark Abraham
M
ove configuration of glob
a
l headers
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Mark
H
WLOC cmake cache varia
b
l
e
as ad
v
a
nced
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Fix warnings for no-mpi build
commit
|
commitdiff
|
tree
2020-04-21
M
ark A
b
raha
m
F
ix w
a
rni
n
g
s
with clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abrah
a
m
I
n
troduc
e
GMX_USE_SIMD_KERNELS cmake o
p
tion
commit
|
commitdiff
|
tree
2020-04-14
M
ark Abr
a
ham
F
ix m
o
re cl
a
ng warnings
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraham
Fix warning
s
for no-mpi bu
i
ld
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Removed un
u
sed var
i
able in force table g
e
neration
commit
|
commitdiff
|
tree
2020-04-12
Mark Abrah
a
m
F
i
nish removing ENCAD
shifts and table g
e
neration
commit
|
commitdiff
|
tree
2020-04-12
Mark Abr
a
ham
Update to
clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Ma
r
k Abraham
Fixes
f
or clan
g
-ti
d
y-9
commit
|
commitdiff
|
tree
2020-04-07
Mark
A
braham
Rep
l
ace
EnumOption with Enum
e
r
a
tionArrayOption
commit
|
commitdiff
|
tree
2020-04-01
Ma
r
k Abraham
Fix minor bug with
tool
s
time
-
uni
t
conv
e
rsions
commit
|
commitdiff
|
tree
2020-03-30
Mark A
b
r
aham
Se
t
bu
f
fers ap
p
ropriat
e
ly so
.
xpm files can be
rea
d
.
commit
|
commitdiff
|
tree
2020-03-18
Mark Abrah
a
m
Fix unused
v
aria
b
le in PME Ope
n
CL
k
ernel
commit
|
commitdiff
|
tree
2020-03-18
Mar
k
Abraham
S
implify PM
E
G
PU con
s
ta
n
ts
commit
|
commitdiff
|
tree
2020-03-14
Mark Abraham
Move testi
n
g
c
o
de to test director
y
commit
|
commitdiff
|
tree
2020-03-13
Mark Abra
h
am
Re
q
uire padded atom data for PME GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark
A
braham
Cons
o
lid
a
te PME GPU spli
n
e
infras
t
ructure
commit
|
commitdiff
|
tree
2020-03-06
Mark
A
br
a
ha
m
Sim
p
l
i
fy compiling GPU code for tests
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Simplify PME step
workload
management
commit
|
commitdiff
|
tree
2020-03-04
Mark A
b
raham
Im
p
rove TPI handling
commit
|
commitdiff
|
tree
2020-02-23
M
a
r
k Abraham
Re
m
oved unused P
M
E gather functionality
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraham
Added m
o
re d
o
c
s
a
nd tests to Enumerati
o
nA
r
ray
commit
|
commitdiff
|
tree
2020-01-27
Ma
r
k
Abr
a
ha
m
Update some nbnxm kernel co
n
stants to con
s
texpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Ab
r
aham
Remov
e
element-size
member fields
commit
|
commitdiff
|
tree
2020-01-27
Mark Ab
r
a
h
a
m
Make NbnxnGpu
c
la
s
s with constructor
commit
|
commitdiff
|
tree
2020-01-17
Mark
A
braham
R
e
gularize nbn
x
m module doxyge
n
commit
|
commitdiff
|
tree
2020-01-16
M
a
r
k Abra
h
am
M
ake nbnxm headers more self-contained
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
C
lean up ewald module
in
t
e
r
n
a
ls
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Split lines with many copyrigh
t
y
ears
commit
|
commitdiff
|
tree
2019-12-31
Mar
k
Abraham
Avoid 386 O3
codegen bug
even more
commit
|
commitdiff
|
tree
2019-12-30
Mar
k
Abraham
Tests that verify seri
a
l
izer beha
v
iours
commit
|
commitdiff
|
tree
2019-12-30
Mark Abrah
a
m
Remo
v
e use of tupl
e
in LINCS
c
o
de fo
r
GP
U
imple
m
entation
commit
|
commitdiff
|
tree
2019-12-28
M
ark A
b
raham
R
e
move GMX_CYCLECOUN
T
ERS
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
br
a
ham
Mer
g
e
"
Merge
o
r
igin/release-2019 i
n
t
o release-2
0
20
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraha
m
Remove su
p
p
ort for ARM
v
7
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k
A
braham
Sto
p
testing ARMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark
A
braham
Fi
x
th
a
t tests intended fo
r
m
ultiple rank
s
run that way
commit
|
commitdiff
|
tree
2019-12-14
Mark Abraham
Simplify
g
mxa
p
i RPATH handling
commit
|
commitdiff
|
tree
2019-12-12
Mark A
b
raham
Merge
"
M
e
rge branch 'origi
n
/release-2020' into
m
aster"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Document
DOMAINDECOM
P
(cr)
c
o
rrec
t
l
y
commit
|
commitdiff
|
tree
2019-12-10
M
a
rk
A
braham
S
implify
g
mx
a
pi RPATH han
d
ling
commit
|
commitdiff
|
tree
2019-12-06
Mark
A
b
r
a
ham
Avo
i
d
386 O3 codegen bug
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Provide more feedback w
h
en listed forces tests fail
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
A
d
ded
O
p
e
nCL
bu
i
ld to releas
e
m
a
trix
commit
|
commitdiff
|
tree
2019-12-04
M
ark Abraha
m
Removed
unnec
e
s
sary
link_director
i
es command for g
t
est
commit
|
commitdiff
|
tree
2019-12-01
Mark
Abrah
a
m
Further imp
r
ove taskass
i
gnment except
i
o
n handli
n
g
commit
|
commitdiff
|
tree
2019-11-29
Mark
A
br
a
ham
Merge
branch
release
-
2019
into rele
a
s
e
-2020
commit
|
commitdiff
|
tree
2019-11-27
M
a
rk Abraham
Disable GPU PME-PP
comm
u
ni
c
ation w
i
th md
r
un
-pm
e
fft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Ab
r
aham
Im
p
ro
v
e h
a
ndling of task-
a
ssi
g
nme
n
t ex
c
ept
i
ons
commit
|
commitdiff
|
tree
2019-11-26
Mark
Abraham
Rel
a
x
toleranc
e
fo
r
bd
tes
t
s
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
M
erge
b
ranch release-2020
commit
|
commitdiff
|
tree
2019-11-21
Mark
A
braha
m
New cool
quote
commit
|
commitdiff
|
tree
2019-11-20
Mark Ab
r
a
h
am
Q
u
i
e
t uninitiali
z
e
d
v
ariable warning with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
Upda
t
ed
r
eleas
e
not
e
s for CO
D
ATA update
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Relaxed list
e
d f
o
rces test
t
olerances
commit
|
commitdiff
|
tree
2019-11-16
Ma
r
k Abraham
Stop testin
g
t
hat h
w
loc cache-siz
e
de
t
ecti
o
n
w
o
rks
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abrah
a
m
Test
s
for valid
p
e
r
i
odic
a
c
t
i
ons
commit
|
commitdiff
|
tree
2019-10-13
M
ark Abra
h
am
Ensure en
v
i
r
onm
e
nt variable
u
se does not give warnings
commit
|
commitdiff
|
tree
2019-10-07
Mark Abraham
Extend G
P
U
t
raits clas
s
commit
|
commitdiff
|
tree
2019-10-04
Mark Abraham
Fix t
h
at te
s
t
s
i
nt
e
n
d
ed for multiple ranks run that way
commit
|
commitdiff
|
tree
2019-10-02
Ma
r
k A
b
raham
I
m
prov
e
PME
t
esting
commit
|
commitdiff
|
tree
2019-10-01
Ma
r
k Abrah
a
m
Move
G
PU ta
s
k assignment
commit
|
commitdiff
|
tree
2019-10-01
Mark
A
braham
Fi
x
icc warni
n
gs
commit
|
commitdiff
|
tree
2019-10-01
M
ark Abraham
R
emo
v
ed dependency on
c
om
m
r
e
c
of mdrun
s
etup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraham
Make a bu
i
lder for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Imp
r
ov
e
MiMiC test implem
e
nt
a
t
i
on
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Stop checking C
U
DA ve
r
sion reporte
d
b
y nvc
c
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gr
o
fil
e
outpu
t
wit
h
index gr
o
ups
commit
|
commitdiff
|
tree
2019-09-27
M
ark Ab
r
aham
Add tests fo
r
editcon
f
file conversion with index
i
ng
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraham
Fix gro fi
l
e output w
i
th index group
s
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
A
b
ra
h
am
R
e
move
left
o
ver suppo
r
t for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abraham
Fix log file
f
lag o
u
tput
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
F
i
x n
o
-
M
PI CUDA build
commit
|
commitdiff
|
tree
2019-09-24
Mark
A
bra
h
am
Merge "Merge b
r
an
c
h release
-
2019 into mas
t
er"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix clang
unu
s
ed-function warnings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fi
x
e
s
t
o broken CU
D
A
c
o
m
piler flag
s
commit
|
commitdiff
|
tree
2019-09-23
Mar
k
Ab
r
aham
Fix 1D-1pulse support
commit
|
commitdiff
|
tree
2019-09-20
Mark Abraham
Refacto
r
t
o
create a
GpuTaskA
s
s
i
g
nments object
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
U
s
e
G
P
U halo exchange
o
nly when
co
m
patible DD
is available
commit
|
commitdiff
|
tree
next