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Restored the comment
2020-06-25
Mark A
b
raham
Restored
t
he comment
commit
|
commitdiff
|
tree
2020-06-23
Mark Abra
h
am
W
I
P
:
Finish removing
c
omp
i
le_cp
p
_
a
s_cuda
commit
|
commitdiff
|
tree
2020-06-01
Mark
Abraham
Fix atomics configure t
e
st
commit
|
commitdiff
|
tree
2020-05-29
Mar
k
Abraham
Make Cy
g
win build work
commit
|
commitdiff
|
tree
2020-04-30
Ma
r
k Abr
a
ham
Remove b
u
ndled
F
i
ndCUDA
.
cmak
e
commit
|
commitdiff
|
tree
2020-04-30
Mark
Ab
r
a
ha
m
Fi
x
compiler flag reporting
commit
|
commitdiff
|
tree
2020-04-29
Mark
Abrah
a
m
U
p
date cmake version fo
r
docs co
n
tai
n
er
commit
|
commitdiff
|
tree
2020-04-29
Mark
A
b
r
aham
Baseline commit
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Fixed s
e
v
eral cla
n
g-tid
y
i
s
sues
commit
|
commitdiff
|
tree
2020-04-27
Mark Abraham
Improved some l
o
g
i
c in do_force
commit
|
commitdiff
|
tree
2020-04-25
Mar
k
Abrah
a
m
M
ove
configur
a
tion of glo
b
al headers
commit
|
commitdiff
|
tree
2020-04-23
Mark Abraham
Mark HWLOC cmake cache
v
a
riable as adv
a
nce
d
commit
|
commitdiff
|
tree
2020-04-23
Mark Abra
h
am
Fix warnings for
no-mpi bui
l
d
commit
|
commitdiff
|
tree
2020-04-21
Mark
Abr
a
ham
Fix war
n
ings with
c
l
ang 9
commit
|
commitdiff
|
tree
2020-04-16
Ma
r
k
Abraham
Intr
o
duc
e
GM
X
_USE_SIMD_KERN
E
L
S cmake option
commit
|
commitdiff
|
tree
2020-04-14
M
ark Abraham
F
i
x more clang wa
r
ni
n
gs
commit
|
commitdiff
|
tree
2020-04-13
Mark Abraham
Fix warnings for no-mpi bui
l
d
commit
|
commitdiff
|
tree
2020-04-12
Mark
A
bra
h
am
Removed unu
s
ed variable in forc
e
table ge
n
eration
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
F
i
nish removi
n
g ENC
A
D shifts and table generat
i
on
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Update t
o
cl
a
ng
-
tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark Abr
a
ham
Fixes f
o
r clang-tidy-
9
commit
|
commitdiff
|
tree
2020-04-07
M
ark A
b
ra
h
am
Replace EnumOption with
Enumeratio
n
Array
O
ption
commit
|
commitdiff
|
tree
2020-04-01
M
ark Abraham
Fi
x
minor
bug w
i
th t
o
ols time-unit conversions
commit
|
commitdiff
|
tree
2020-03-30
M
ark Abraham
Set buffers appropria
t
e
l
y
s
o
.
xpm
f
iles can b
e
read
.
commit
|
commitdiff
|
tree
2020-03-18
Mark
Ab
r
a
h
am
Fix unu
s
e
d variable in PM
E
O
p
enCL kernel
commit
|
commitdiff
|
tree
2020-03-18
Mark Abraham
Simplify
PME GPU constants
commit
|
commitdiff
|
tree
2020-03-14
Mark Abraham
Move tes
t
ing code to
t
e
st dire
c
tory
commit
|
commitdiff
|
tree
2020-03-13
Mark A
b
rah
a
m
Re
q
uire pa
d
ded atom data for PME GP
U
commit
|
commitdiff
|
tree
2020-03-09
Mark Abraham
Consoli
d
ate PME
GP
U
spline infrastructure
commit
|
commitdiff
|
tree
2020-03-06
M
ark Abraham
S
implify compiling GPU code for t
e
sts
commit
|
commitdiff
|
tree
2020-03-05
Mark Abraham
Simplify P
M
E step workload managemen
t
commit
|
commitdiff
|
tree
2020-03-04
Mark Abrah
a
m
Im
p
rov
e
TPI handl
i
ng
commit
|
commitdiff
|
tree
2020-02-23
Mar
k
Abraham
Removed
u
n
used PME gather functionality
commit
|
commitdiff
|
tree
2020-02-18
Mark Abraham
Added more
docs and tests to Enumera
t
i
onArray
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Update some nbnxm kernel constants to constexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
R
e
mo
v
e ele
m
ent-
s
i
ze
member
field
s
commit
|
commitdiff
|
tree
2020-01-27
Ma
r
k Abraham
Make
N
bnxnG
p
u cl
a
ss with c
o
nstructor
commit
|
commitdiff
|
tree
2020-01-17
Mark Abr
a
ham
Reg
u
larize
nbnxm module do
x
ygen
commit
|
commitdiff
|
tree
2020-01-16
Mark Abraha
m
Make nbnxm heade
r
s more self-contained
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Cle
a
n
up e
w
ald module
i
nt
e
rnals
commit
|
commitdiff
|
tree
2020-01-09
Mark Ab
r
aham
S
plit lin
e
s
w
i
th
many
co
p
yright years
commit
|
commitdiff
|
tree
2019-12-31
M
ark Abr
a
h
a
m
Avoid 386 O3 codegen bug
even more
commit
|
commitdiff
|
tree
2019-12-30
M
a
r
k Abra
h
am
Tests
t
hat ver
i
fy serialize
r
behavio
u
rs
commit
|
commitdiff
|
tree
2019-12-30
Mark
Ab
r
aha
m
Re
m
o
ve u
s
e of tuple
i
n LINCS
code for GPU implemen
t
ati
o
n
commit
|
commitdiff
|
tree
2019-12-28
M
ark Abra
h
am
Rem
o
ve GMX_
C
YCLECOUNTERS
commit
|
commitdiff
|
tree
2019-12-28
Mark
A
braham
Me
r
g
e
"
M
erge
ori
g
i
n
/release-2
0
19
into release-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Remove s
u
pport for ARMv7
commit
|
commitdiff
|
tree
2019-12-28
Mark Abra
h
am
Stop
testing
A
RMv7
commit
|
commitdiff
|
tree
2019-12-17
Mark A
b
raham
Fix tha
t
te
s
ts intended for multiple
r
anks run that
w
ay
commit
|
commitdiff
|
tree
2019-12-14
Ma
r
k
A
b
r
aham
S
i
mp
l
ify g
m
x
api
R
PA
T
H handling
commit
|
commitdiff
|
tree
2019-12-12
Mark Abraham
Merge "Merg
e
branch
'origin
/
release-
2
020' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abrah
a
m
Documen
t
DOMAIND
E
COMP(cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
Mark Abr
a
ham
Simplify gmxapi RPA
T
H
handli
n
g
commit
|
commitdiff
|
tree
2019-12-06
Mark Abraham
Avoid 386 O3 co
d
egen bug
commit
|
commitdiff
|
tree
2019-12-06
Mar
k
Abraha
m
Provide more fe
e
dback wh
e
n l
i
ste
d
fo
r
c
es tests fai
l
commit
|
commitdiff
|
tree
2019-12-04
Mark
Abraham
Ad
d
ed
O
penCL
b
uild to
r
elease
m
a
t
rix
commit
|
commitdiff
|
tree
2019-12-04
M
ark Abraham
Removed unnecessary
link_directories com
m
and for gtes
t
commit
|
commitdiff
|
tree
2019-12-01
M
a
r
k
Abraha
m
Further
i
mprove taskassign
m
ent e
x
ception handlin
g
commit
|
commitdiff
|
tree
2019-11-29
Ma
r
k Abra
h
am
Merge
branch
r
elease-2019 into release-
2
020
commit
|
commitdiff
|
tree
2019-11-27
Mar
k
Abraham
Disable G
P
U PME-PP com
m
unication
w
ith mdrun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Impro
v
e handling of task-assi
g
nment
exceptions
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Re
l
ax tolerance f
o
r bd t
e
sts
commit
|
commitdiff
|
tree
2019-11-21
Mark Ab
r
aham
M
erge br
a
nch rel
e
a
s
e-2020
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
N
e
w
c
o
o
l quote
commit
|
commitdiff
|
tree
2019-11-20
M
a
rk A
b
raham
Quiet unin
i
tiali
z
ed va
r
iable warning with clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark A
b
raham
Updated
release notes for CODAT
A
u
pdate
commit
|
commitdiff
|
tree
2019-11-16
Mark Abraham
Relaxed listed forces
t
est
t
o
l
e
rances
commit
|
commitdiff
|
tree
2019-11-16
M
a
rk Abraham
Stop testing that hwloc cache-size detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
M
a
rk Abraham
Tests for
valid per
i
o
d
ic
a
ctio
n
s
commit
|
commitdiff
|
tree
2019-10-13
Mark Abraham
Ensure environment var
i
able use does not give
w
ar
n
in
g
s
commit
|
commitdiff
|
tree
2019-10-07
Mark
Abraham
Extend GPU traits cl
a
ss
commit
|
commitdiff
|
tree
2019-10-04
Mar
k
Abraham
Fix t
h
at tests in
t
e
nded
f
o
r mul
t
i
ple
ranks run that wa
y
commit
|
commitdiff
|
tree
2019-10-02
Mark Abr
a
ha
m
Im
p
rove PME testi
n
g
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Mo
v
e
GPU task assignment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
F
i
x icc warnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abrah
a
m
Rem
o
ved dependen
c
y
o
n
commrec of mdrun
s
etup
commit
|
commitdiff
|
tree
2019-09-30
Mark Abra
h
am
Make a builder
f
or DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Improve M
i
MiC
test
i
m
p
lementatio
n
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraham
Stop
c
hecki
n
g CUDA version
rep
o
rt
e
d by
n
v
cc
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
braha
m
F
i
x
gro file
o
utput
with index
groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Add tests for editconf fil
e
co
n
version with index
i
ng
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro file output
with index g
r
oups
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
braham
R
e
move leftover support for pre
-
9
.
0
C
UD
A
commit
|
commitdiff
|
tree
2019-09-25
Mark Abraham
Fix
log fil
e
flag output
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix no-MPI CUDA buil
d
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraha
m
Merge
"Merg
e
branch rel
e
ase-
2
019
i
n
to master"
commit
|
commitdiff
|
tree
2019-09-24
Mark A
b
ra
h
am
Fi
x
clang unused-fu
n
c
t
i
o
n warnings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fixes to broken CUDA compiler flags
commit
|
commitdiff
|
tree
2019-09-23
Mark
A
braham
F
ix 1D-1pulse
s
upport
commit
|
commitdiff
|
tree
2019-09-20
Mar
k
Abraham
R
e
f
actor to
cre
a
te a GpuTaskAssign
m
ents
o
bj
e
ct
commit
|
commitdiff
|
tree
2019-09-19
Ma
r
k Abr
a
ham
Use GPU halo
exchange only when comp
a
tible DD
i
s
av
a
ilable
commit
|
commitdiff
|
tree
2019-09-19
Ma
r
k Abraham
Further imp
r
ov
e
getDDGr
i
dSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark
Abraham
Av
o
id short-range
G
PU operations with no work
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraha
m
Disabl
e
re
p
or
t
-m
e
thods end-to-end t
e
st
commit
|
commitdiff
|
tree
2019-09-11
Ma
r
k Abr
a
ha
m
Make gmx_multisim
_
t a C++ obje
c
t
commit
|
commitdiff
|
tree
2019-09-11
Ma
r
k
Abr
a
ham
Fix m
u
l
ti-
s
im restart handling in
c
orne
r
cases
commit
|
commitdiff
|
tree
2019-09-10
Mark Abr
a
h
am
Av
o
id warni
n
g in no-m
p
i
build
commit
|
commitdiff
|
tree
2019-09-10
Mark Ab
r
a
h
am
Use
more RAI
I
sema
n
tics wi
t
h t_comm
r
ec
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Clean up commrec uniforml
y
commit
|
commitdiff
|
tree
2019-09-05
Mark
A
b
ra
h
am
Update mdrun
test
c
omparis
o
n infrastructu
r
e
commit
|
commitdiff
|
tree
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