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Avoid builds with RelWithDebInfo
2020-08-17
Mark Abraham
Avoid builds w
i
t
h
R
elWit
h
DebInfo
commit
|
commitdiff
|
tree
2020-08-17
Mark
A
b
raham
Fix is
H
o
stMem
o
ryPinne
d
f
o
r
changes
i
n CUDA
11
.
0
commit
|
commitdiff
|
tree
2020-08-12
Mar
k
Abraham
Revert to CUD
A
10 image for CI
commit
|
commitdiff
|
tree
2020-08-07
Mark Abraham
Fix release build warning
commit
|
commitdiff
|
tree
2020-08-06
Mar
k
A
b
raham
Keep all the infra and the
user h
a
ppy
commit
|
commitdiff
|
tree
2020-08-06
Mark Abr
a
ham
Update min
i
mum t
e
st
e
d CUDA to 11
.
0
commit
|
commitdiff
|
tree
2020-07-31
Ma
r
k Abrah
a
m
M
o
ve code
to prepare
for multisim cl
a
s
s
commit
|
commitdiff
|
tree
2020-07-31
M
a
rk Abraham
Release configs
w
er
e
using a wr
o
ng build t
y
pe
commit
|
commitdiff
|
tree
2020-07-27
Mark Abraham
F
i
x warnings in rel
e
as
e
builds
commit
|
commitdiff
|
tree
2020-07-27
M
a
r
k A
b
r
a
ham
Fix
RDTSCP handl
i
ng
commit
|
commitdiff
|
tree
2020-07-15
M
ark Abraham
D
i
vide default comm
u
nicator f
r
om DD com
m
unicators
commit
|
commitdiff
|
tree
2020-07-08
Mark
A
braham
F
ix
i
ssues found with cla
n
g
-tidy
commit
|
commitdiff
|
tree
2020-06-25
Mark Abraham
Restored the comment
commit
|
commitdiff
|
tree
2020-06-23
Mark Abra
h
am
WIP
:
Finish removin
g
co
m
pile_cpp_a
s
_cuda
commit
|
commitdiff
|
tree
2020-06-01
Mark Abraham
Fix atom
i
c
s con
f
igure test
commit
|
commitdiff
|
tree
2020-05-29
Mark Ab
r
aham
Make C
y
gwi
n
build work
commit
|
commitdiff
|
tree
2020-04-30
Mark A
b
raham
Remove
bundled Find
C
UDA
.
cma
k
e
commit
|
commitdiff
|
tree
2020-04-30
Mark Abraham
Fi
x
compiler flag
rep
o
rtin
g
commit
|
commitdiff
|
tree
2020-04-29
Mar
k
Abraham
Update cmake version for d
o
cs container
commit
|
commitdiff
|
tree
2020-04-29
M
a
rk Ab
r
ah
a
m
Baseline commit
commit
|
commitdiff
|
tree
2020-04-29
Mark Abraham
Fixed several clang-
t
i
dy issues
commit
|
commitdiff
|
tree
2020-04-27
Mark Abrah
a
m
Impro
v
ed som
e
logic
i
n do_force
commit
|
commitdiff
|
tree
2020-04-25
M
ark
Abr
a
ham
Mo
v
e configuration of
g
l
o
bal
headers
commit
|
commitdiff
|
tree
2020-04-23
Mar
k
Abrah
a
m
Mar
k
HWLOC cmake cache varia
b
l
e as
a
d
vanced
commit
|
commitdiff
|
tree
2020-04-23
M
a
rk Abraham
Fix
warnings for no-mpi b
u
ild
commit
|
commitdiff
|
tree
2020-04-21
Mark Abr
a
h
a
m
F
i
x w
a
rnings with clang 9
commit
|
commitdiff
|
tree
2020-04-16
Mark Abraham
Int
r
oduce GMX_USE_SIMD_KERNELS cma
k
e option
commit
|
commitdiff
|
tree
2020-04-14
Mark A
b
raham
Fix more clan
g
w
a
r
n
ings
commit
|
commitdiff
|
tree
2020-04-13
M
a
rk Abraham
Fix warnings f
o
r no-m
p
i build
commit
|
commitdiff
|
tree
2020-04-12
Ma
r
k
A
braha
m
Removed
u
nused
v
ariab
l
e
in force tab
l
e
ge
n
e
r
a
t
i
on
commit
|
commitdiff
|
tree
2020-04-12
Mark Abraham
Fini
s
h r
e
moving ENCAD shifts and table generatio
n
commit
|
commitdiff
|
tree
2020-04-12
Mar
k
Abraham
Update t
o
clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-08
Mark Abraham
Fixes for clang-tidy-9
commit
|
commitdiff
|
tree
2020-04-07
Mark Abra
h
am
Replace EnumOp
t
ion wi
t
h Enume
r
a
t
ionArrayOpti
o
n
commit
|
commitdiff
|
tree
2020-04-01
Mark
Abrah
a
m
Fix minor bug with tools
t
ime-unit conversions
commit
|
commitdiff
|
tree
2020-03-30
Mark Abraha
m
S
e
t buff
e
rs a
p
propr
i
ately so
.
xpm fil
e
s can
b
e
r
ead
.
commit
|
commitdiff
|
tree
2020-03-18
Mark Abrah
a
m
Fix unused variab
l
e
in PME OpenCL kernel
commit
|
commitdiff
|
tree
2020-03-18
M
a
rk Ab
r
ah
a
m
Simplify PME
GPU co
n
sta
n
ts
commit
|
commitdiff
|
tree
2020-03-14
Mark Ab
r
ah
a
m
M
o
ve
t
esting c
o
de to tes
t
directory
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
Require p
a
dded a
t
om da
t
a f
o
r PME G
P
U
commit
|
commitdiff
|
tree
2020-03-09
M
a
rk Abraham
C
o
nso
l
i
date PME GPU spline infrastructure
commit
|
commitdiff
|
tree
2020-03-06
Mark Abraham
Simplify compiling
GPU code for tests
commit
|
commitdiff
|
tree
2020-03-05
Mark
A
b
rah
a
m
S
i
mplify PME step worklo
a
d man
a
gemen
t
commit
|
commitdiff
|
tree
2020-03-04
Mark Abraham
Improve TPI hand
l
in
g
commit
|
commitdiff
|
tree
2020-02-23
M
a
r
k
Abraha
m
Removed unused PME gather function
a
lity
commit
|
commitdiff
|
tree
2020-02-18
Mark Ab
r
aha
m
Added more docs
and
t
es
t
s to En
u
mer
a
tionArray
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Upda
t
e some nbnxm
k
ernel constants t
o
c
onstexpr
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Remove e
l
ement-size me
m
ber f
i
elds
commit
|
commitdiff
|
tree
2020-01-27
Mark Abraham
Ma
k
e NbnxnGpu c
l
ass with construct
o
r
commit
|
commitdiff
|
tree
2020-01-17
M
ark Abrah
a
m
Regula
r
ize n
b
nxm mo
d
ule d
o
xygen
commit
|
commitdiff
|
tree
2020-01-16
Mark
Abraham
M
a
ke nbnxm
h
e
aders
m
ore self-con
t
ain
e
d
commit
|
commitdiff
|
tree
2020-01-09
Mark Abraham
Clea
n
up ewald
module inter
n
als
commit
|
commitdiff
|
tree
2020-01-09
Mark Abra
h
am
Split lines with m
a
ny copyright y
e
ars
commit
|
commitdiff
|
tree
2019-12-31
M
a
rk Ab
r
aham
A
v
oid 386 O3
c
odegen bug even
m
o
r
e
commit
|
commitdiff
|
tree
2019-12-30
Mark
A
brah
a
m
T
e
sts that
v
erify
serialize
r
beh
a
vio
u
rs
commit
|
commitdiff
|
tree
2019-12-30
Mark Abraham
Re
m
ove use of tuple
i
n LINC
S
code for GPU
implem
e
ntation
commit
|
commitdiff
|
tree
2019-12-28
M
a
rk Abra
h
am
Remove GMX_CYCLEC
O
UNTERS
commit
|
commitdiff
|
tree
2019-12-28
M
a
rk A
b
r
aham
Merge "
M
e
rge
o
r
i
g
in/release-2019
i
nt
o
releas
e
-2020
.
.
.
commit
|
commitdiff
|
tree
2019-12-28
Mark Abraham
Re
m
ove
s
upport
f
or ARMv7
commit
|
commitdiff
|
tree
2019-12-28
M
a
r
k
Abraham
St
o
p testin
g
A
R
Mv7
commit
|
commitdiff
|
tree
2019-12-17
Mark Abr
a
ham
Fix that tests intended
for multiple r
a
nks r
u
n that w
a
y
commit
|
commitdiff
|
tree
2019-12-14
Mark A
b
rah
a
m
Sim
p
lify gmxapi
R
PATH handli
n
g
commit
|
commitdiff
|
tree
2019-12-12
Mark Abraham
Merge
"
Merge branch
'
origin/rele
a
se
-
2020' into master"
commit
|
commitdiff
|
tree
2019-12-11
Mark Abraham
Documen
t
D
OM
A
INDECOMP
(
cr) correctly
commit
|
commitdiff
|
tree
2019-12-10
M
a
rk Abraham
S
i
mp
l
ify gmx
a
p
i
R
PATH handling
commit
|
commitdiff
|
tree
2019-12-06
Mark A
b
raham
Avoid
3
86 O3
c
odegen b
u
g
commit
|
commitdiff
|
tree
2019-12-06
M
ark Abraham
Provide more fe
e
dback when li
s
ted forces t
e
sts fail
commit
|
commitdiff
|
tree
2019-12-04
Mark Abraha
m
Added
O
penCL build to release matr
i
x
commit
|
commitdiff
|
tree
2019-12-04
Mar
k
Abraham
Removed unn
e
cessary
link_di
r
ectories co
m
mand for gte
s
t
commit
|
commitdiff
|
tree
2019-12-01
Ma
r
k A
b
ra
h
am
Further im
p
r
o
v
e taskas
s
i
g
nme
n
t ex
c
e
ption handling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abra
h
am
Merge branch
release-2019 into release-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark Abraham
Disable GPU PME
-
PP comm
u
n
ication with md
r
u
n
-pmef
f
t cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark
Abraham
Improve handling of task-assignment
except
i
o
ns
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Relax t
o
lerance for bd
t
ests
commit
|
commitdiff
|
tree
2019-11-21
Mark Abra
h
a
m
Merge br
a
nch
rele
a
se-2020
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
New cool quote
commit
|
commitdiff
|
tree
2019-11-20
M
a
rk Abraham
Quiet unini
t
ia
l
i
z
e
d
v
a
riabl
e
warning wi
t
h cla
n
g 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abraham
U
pdated relea
s
e not
e
s for
C
ODATA update
commit
|
commitdiff
|
tree
2019-11-16
M
ar
k
Abraham
Rel
a
xe
d
l
i
sted forc
e
s test tolerance
s
commit
|
commitdiff
|
tree
2019-11-16
M
a
r
k
Abraham
S
top testing that hwloc cache-size detection
w
o
r
ks
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Mark
A
b
raham
Tests
for valid
per
i
o
d
ic ac
t
ions
commit
|
commitdiff
|
tree
2019-10-13
Mark Abraham
En
s
u
re environment
varia
b
le use does not gi
v
e warning
s
commit
|
commitdiff
|
tree
2019-10-07
Mark Abra
h
am
E
x
te
n
d
GPU trait
s
class
commit
|
commitdiff
|
tree
2019-10-04
M
ark Abraham
F
ix that tests intended for multipl
e
rank
s
run that way
commit
|
commitdiff
|
tree
2019-10-02
Mark Ab
r
aham
I
m
prove
P
ME testing
commit
|
commitdiff
|
tree
2019-10-01
Mark
A
br
a
h
am
Move GPU
t
a
s
k
as
s
ignment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Fix i
c
c
warn
i
ng
s
commit
|
commitdiff
|
tree
2019-10-01
Mar
k
Ab
r
aham
Re
m
oved dep
e
ndency on commrec of mdr
u
n
s
etup
commit
|
commitdiff
|
tree
2019-09-30
Mar
k
Abraham
Make a
builder
f
or D
D
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Im
p
rove MiMi
C
test i
m
plem
e
n
tation
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abr
a
ham
S
t
op checkin
g
C
U
DA vers
i
o
n
repo
r
ted by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abraham
Fix gro file o
u
tput with i
n
dex
gro
u
p
s
commit
|
commitdiff
|
tree
2019-09-27
M
ark Abraham
Add tes
t
s for edit
c
onf file co
n
version w
i
th indexing
commit
|
commitdiff
|
tree
2019-09-27
Mark
A
braha
m
Fix gro file
output
with ind
e
x
gro
u
ps
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Remove leftover suppor
t
for p
r
e-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abrah
a
m
Fix log file
f
lag outp
u
t
commit
|
commitdiff
|
tree
2019-09-24
M
a
rk Abra
h
am
Fix no-MPI CUD
A
build
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Merge
"
Mer
g
e branch release-20
1
9
into master
"
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
Abr
a
h
a
m
Fix clang unused-
f
unction war
n
ings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
F
i
xes to broken
C
UDA compiler f
l
ags
commit
|
commitdiff
|
tree
next