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Fix atomics configure test
2020-06-01
Mark
A
braham
Fix atomics configu
r
e test
commit
|
commitdiff
|
tree
2020-05-29
M
a
rk
A
braham
Make Cygwin
b
u
i
ld work
commit
|
commitdiff
|
tree
2020-04-30
Mark Abrah
a
m
Remove bundled Fi
n
d
CUDA
.
cma
k
e
commit
|
commitdiff
|
tree
2020-04-30
M
a
r
k
Abra
h
am
Fix compiler flag rep
o
rting
commit
|
commitdiff
|
tree
2020-04-29
Mark A
b
ra
h
am
Update cmake vers
i
on for do
c
s containe
r
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
B
aseline com
m
it
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Fixed s
e
veral cla
n
g-tidy
issues
commit
|
commitdiff
|
tree
2020-04-27
Mark Abr
a
ham
Improv
e
d
s
ome logic in do_force
commit
|
commitdiff
|
tree
2020-04-25
M
ark Abrah
a
m
M
ove confi
g
uration of global
h
e
a
ders
commit
|
commitdiff
|
tree
2020-04-23
Mar
k
Abraham
Mark HWLOC cmak
e
cache
variable as advanced
commit
|
commitdiff
|
tree
2020-04-23
Mark Abra
h
a
m
F
ix warnings for no-mp
i
build
commit
|
commitdiff
|
tree
2020-04-21
Mark Abr
a
ham
Fi
x
warnings with clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abraham
Int
r
o
duce GMX_USE
_
SIMD_KERNELS cmake o
p
t
i
on
commit
|
commitdiff
|
tree
2020-04-14
M
ark Abraha
m
Fix
mor
e
clang w
a
rnings
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraham
Fix warnings
f
or no-mpi build
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Removed unused
variable in force table gene
r
ation
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
F
i
nish
r
emov
i
ng ENCAD shifts
an
d
t
able generation
commit
|
commitdiff
|
tree
2020-04-12
Mark Abr
a
ham
U
p
d
a
t
e
to clang
-
tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark Abraham
Fix
e
s f
o
r
cla
n
g
-
ti
d
y-9
commit
|
commitdiff
|
tree
2020-04-07
Mar
k
Abraham
Re
p
lace EnumOpt
i
on with Enume
r
ation
A
r
rayOptio
n
commit
|
commitdiff
|
tree
2020-04-01
Mark Abraham
F
i
x
m
i
n
or bug with
t
ools time-unit conversion
s
commit
|
commitdiff
|
tree
2020-03-30
M
ark Abraham
Set buffe
r
s
a
ppropri
a
tely so
.
x
pm
f
iles can be read
.
commit
|
commitdiff
|
tree
2020-03-18
Mar
k
Abraha
m
F
ix unused va
r
i
a
ble
i
n PME OpenCL k
e
rnel
commit
|
commitdiff
|
tree
2020-03-18
Mar
k
Abra
h
a
m
S
implify PME GP
U
constants
commit
|
commitdiff
|
tree
2020-03-14
M
a
r
k Ab
r
a
ham
Move testing code to tes
t
directory
commit
|
commitdiff
|
tree
2020-03-13
Mark Abra
h
am
Require padded atom data for PME GPU
commit
|
commitdiff
|
tree
2020-03-09
Mark A
b
raham
C
onsolidate PME GPU splin
e
i
n
frastr
u
cture
commit
|
commitdiff
|
tree
2020-03-06
Mark
Abra
h
am
Simpli
f
y
com
p
iling GPU code fo
r
test
s
commit
|
commitdiff
|
tree
2020-03-05
Mark Ab
r
aham
S
implify P
M
E
step
workload management
commit
|
commitdiff
|
tree
2020-03-04
M
a
r
k
A
braham
Improve T
P
I h
a
ndling
commit
|
commitdiff
|
tree
2020-02-23
Mar
k
A
b
raham
Re
m
ov
e
d unused PME gather functio
n
ality
commit
|
commitdiff
|
tree
2020-02-18
M
a
rk
Abra
h
a
m
Added more docs and tests to Enumera
t
ionArray
commit
|
commitdiff
|
tree
2020-01-27
M
ark Abrah
a
m
Up
d
a
t
e
some
nbnxm kerne
l
con
s
tan
t
s to co
n
s
texpr
commit
|
commitdiff
|
tree
2020-01-27
Mark A
b
raham
Re
m
ov
e
element-siz
e
member fields
commit
|
commitdiff
|
tree
2020-01-27
Mark Ab
r
aham
M
a
ke NbnxnGpu c
l
a
s
s with
con
s
tructor
commit
|
commitdiff
|
tree
2020-01-17
Mark Abraham
Regulari
z
e
nbnx
m
module
d
o
xygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Abraham
Make
n
bnxm hea
d
e
rs more self-contained
commit
|
commitdiff
|
tree
2020-01-09
Mark
A
braham
Clean up ewal
d
module internal
s
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Split lines w
i
th many copyright years
commit
|
commitdiff
|
tree
2019-12-31
Mark Abraham
Avoid 3
8
6
O3 codegen bug even more
commit
|
commitdiff
|
tree
2019-12-30
M
a
rk Abraham
T
ests that verify ser
i
alizer behaviours
commit
|
commitdiff
|
tree
2019-12-30
Mar
k
Abraham
Remove use of
t
uple in
LINCS
co
d
e for GPU
imp
l
ementation
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Remove GMX_CY
C
LECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
M
ark
A
br
a
h
am
Merg
e
"Merg
e
o
r
i
gin
/
release-2019 into release
-
2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
M
ar
k
Abra
h
am
Remove support for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Ma
r
k
Abrah
a
m
St
o
p
test
i
n
g
ARMv7
commit
|
commitdiff
|
tree
2019-12-17
M
a
rk
A
brah
a
m
F
ix that tests inten
d
ed for
m
ul
t
iple ranks run that way
commit
|
commitdiff
|
tree
2019-12-14
M
a
rk Abraham
Simplify gmxapi RPATH handling
commit
|
commitdiff
|
tree
2019-12-12
Mark
A
braham
Merg
e
"M
e
r
ge branch 'origin/re
l
ease-2020' into
master"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraha
m
Do
c
ument DOMAINDECOMP(cr) co
r
re
c
tl
y
commit
|
commitdiff
|
tree
2019-12-10
Mark Ab
r
aha
m
Si
m
plify gmxa
p
i RPATH ha
n
dli
n
g
commit
|
commitdiff
|
tree
2019-12-06
M
ark Abraham
A
void 3
8
6 O3
codegen bug
commit
|
commitdiff
|
tree
2019-12-06
Mark
Abraham
Provide more fe
e
dback when
l
ist
e
d forces
te
s
ts fail
commit
|
commitdiff
|
tree
2019-12-04
Mark
Abraham
Add
e
d OpenCL bu
i
ld to release ma
t
rix
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraham
Removed unnecessary l
i
n
k_dire
c
t
ories com
m
and f
o
r gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark Abraham
Furth
e
r impro
v
e taskassignme
n
t except
i
o
n
handling
commit
|
commitdiff
|
tree
2019-11-29
M
ark Abraham
Merge branch releas
e
-2019 int
o
re
l
ease-2
0
20
commit
|
commitdiff
|
tree
2019-11-27
Mark Abraham
Disa
b
l
e GPU PME-
P
P communicati
o
n
with
mdrun -pmefft
c
pu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abrah
a
m
Impro
v
e h
a
ndli
n
g
of
t
ask-assignment
exceptio
n
s
commit
|
commitdiff
|
tree
2019-11-26
Mark
A
braham
Re
l
ax tol
e
r
ance for bd tests
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
Merge branch
r
e
lease-2020
commit
|
commitdiff
|
tree
2019-11-21
Mark A
b
raham
New cool quo
t
e
commit
|
commitdiff
|
tree
2019-11-20
Mark Abraham
Q
u
iet uninitial
i
zed var
i
able warni
n
g with
c
l
ang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark
A
braham
Updated
r
e
l
ease notes
for CO
D
AT
A
updat
e
commit
|
commitdiff
|
tree
2019-11-16
Mar
k
A
b
raha
m
Relaxed listed fo
r
c
e
s
t
e
s
t
to
l
erances
commit
|
commitdiff
|
tree
2019-11-16
Mark
A
braham
S
top t
e
sting that hwloc
c
a
c
he-s
i
ze detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark Abraham
Tests for val
i
d
p
erio
d
ic ac
t
ions
commit
|
commitdiff
|
tree
2019-10-13
Mark Abraham
Ensure environment variable use does not give war
n
ings
commit
|
commitdiff
|
tree
2019-10-07
Mark Abrah
a
m
Extend GPU traits class
commit
|
commitdiff
|
tree
2019-10-04
M
ark Abraham
Fix that test
s
intended for multiple ran
k
s run th
a
t way
commit
|
commitdiff
|
tree
2019-10-02
M
a
r
k
Abraham
Improve PME testing
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Move GPU task as
s
i
gnment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Fix icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Remov
e
d
dependency on commrec of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abrah
a
m
Make a builder for D
D
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Improve
MiMiC test
i
mp
l
emen
t
a
tion
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
br
a
ham
Stop checking
C
UDA
v
e
rsion reported by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro file output with index gro
u
ps
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraham
Add tests for editconf file
c
onv
e
rsi
o
n
with indexing
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraham
F
i
x
g
ro file output
with index gr
o
u
p
s
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
R
emove leftover suppor
t
fo
r
p
r
e-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
Ab
r
aham
Fix log f
i
l
e flag outpu
t
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fi
x
n
o-MP
I
CUDA build
commit
|
commitdiff
|
tree
2019-09-24
M
a
rk Abraham
Merg
e
"Merge branch release-2019 into m
a
ster"
commit
|
commitdiff
|
tree
2019-09-24
Ma
r
k Abraham
Fix c
l
ang unu
s
e
d-functio
n
war
n
ings
commit
|
commitdiff
|
tree
2019-09-23
Mar
k
Abraham
Fix
e
s
t
o br
o
ke
n
CUDA compiler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fix
1D-1
p
u
lse supp
o
rt
commit
|
commitdiff
|
tree
2019-09-20
Mark Abr
a
ham
Refactor to create a GpuTaskAssi
g
nments ob
j
ect
commit
|
commitdiff
|
tree
2019-09-19
Mark Abra
h
am
U
s
e
GPU ha
l
o exchange only when compa
t
i
ble DD is available
commit
|
commitdiff
|
tree
2019-09-19
Mark Ab
r
aham
F
urther improve getDDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark
A
br
a
ham
Avoid sh
o
rt-range
G
PU operati
o
ns wit
h
no work
commit
|
commitdiff
|
tree
2019-09-12
Mark
Abr
a
ham
Di
s
ab
l
e report-
m
ethods end-to-end t
e
st
commit
|
commitdiff
|
tree
2019-09-11
Mark Abra
h
am
Ma
k
e gmx_m
u
l
tisim_t a
C+
+
obje
c
t
commit
|
commitdiff
|
tree
2019-09-11
Mark
Abraham
F
ix mult
i
-sim restart handling in
corner cases
commit
|
commitdiff
|
tree
2019-09-10
Mark
A
b
r
a
ham
Avoid w
a
rning in no-mpi build
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Us
e
more
RA
I
I semantics with t_comm
r
ec
commit
|
commitdiff
|
tree
2019-09-06
Mark Ab
r
aha
m
Clean
u
p commrec
unifo
r
mly
commit
|
commitdiff
|
tree
2019-09-05
Mark Abraham
Update mdrun t
e
st
comparison infras
t
ructure
commit
|
commitdiff
|
tree
2019-09-03
Mark
A
br
a
h
a
m
Simplify energy-file co
m
parisons i
n
tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abraham
Mov
e
initi
a
l
i
zation
of clFFT
commit
|
commitdiff
|
tree
next