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Merge "Merge branch 'origin/release-2020' into master"
2019-12-12
Mark Abraham
Merge
"Merge branch '
o
rigin/re
l
ease-2020'
into master"
commit
|
commitdiff
|
tree
2019-12-06
M
a
rk Abraham
Avoid 3
8
6 O
3
codegen bug
commit
|
commitdiff
|
tree
2019-12-06
Ma
r
k
Abraham
P
rovide mor
e
feedback
w
h
en
l
is
t
e
d
forces tests fai
l
commit
|
commitdiff
|
tree
2019-12-04
Mark Ab
r
a
ha
m
Add
e
d OpenCL b
u
ild to rel
e
ase matrix
commit
|
commitdiff
|
tree
2019-12-04
Mark Ab
r
aham
Removed
unnece
s
sary lin
k
_dir
e
c
t
ories co
m
mand for gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark
A
braham
Further im
p
rov
e
t
a
ska
s
signmen
t
e
xception handling
commit
|
commitdiff
|
tree
2019-11-29
Mark Abraham
M
erge branch release-2019 into re
l
ease-2020
commit
|
commitdiff
|
tree
2019-11-27
M
a
rk Abr
a
ham
Di
s
able
G
P
U PM
E
-PP communication with mdrun -pmef
f
t cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Abraham
Improve handling of task-assignment ex
c
ep
t
io
n
s
commit
|
commitdiff
|
tree
2019-11-26
Mark
Abraham
Rela
x
tolerance for bd tests
commit
|
commitdiff
|
tree
2019-11-21
Ma
r
k A
b
raham
Mer
g
e br
a
nch releas
e
-
2
020
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
New cool quot
e
commit
|
commitdiff
|
tree
2019-11-20
Mark
A
braham
Quiet u
n
in
i
tialize
d
variable warning with
c
lang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark A
b
raham
Updated releas
e
n
otes fo
r
CODATA upda
t
e
commit
|
commitdiff
|
tree
2019-11-16
Mark Abra
h
am
Re
l
a
xed listed f
o
rces test to
l
e
r
a
n
c
e
s
commit
|
commitdiff
|
tree
2019-11-16
Mar
k
Abraham
Stop testin
g
t
h
at hwloc cache-
s
i
z
e
d
e
tection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
M
ark A
b
ra
h
am
Tests f
o
r
v
a
l
i
d per
i
odic action
s
commit
|
commitdiff
|
tree
2019-10-13
M
a
rk
A
braham
Ensure environm
e
nt va
r
iable use does no
t
give warnings
commit
|
commitdiff
|
tree
2019-10-07
Mark Ab
r
aham
Extend
G
P
U
trai
t
s class
commit
|
commitdiff
|
tree
2019-10-04
Mar
k
Abra
h
am
Fix
that te
s
ts
i
nte
n
ded for
m
ultiple ranks run
t
h
a
t
way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
Im
p
rove PME testing
commit
|
commitdiff
|
tree
2019-10-01
Mar
k
Abraha
m
Move GPU task assi
g
n
m
ent
commit
|
commitdiff
|
tree
2019-10-01
Mark Abrah
a
m
Fix i
c
c
w
arnings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraha
m
R
e
moved
dependency on commrec of
m
drun set
u
p
commit
|
commitdiff
|
tree
2019-09-30
Mar
k
A
braham
Make a bu
i
l
d
er for DD
commit
|
commitdiff
|
tree
2019-09-27
Mark Abrah
a
m
Improve Mi
M
iC test implement
a
tion
commit
|
commitdiff
|
tree
2019-09-27
Mark A
b
r
aham
Sto
p
ch
e
cki
n
g CUDA
version re
p
orted by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Fix gro file out
p
u
t
with ind
e
x groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
A
d
d
t
ests for ed
i
tconf file conversion
with indexing
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abra
h
am
Fix gr
o
file
outp
u
t with
i
ndex group
s
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k A
b
r
a
h
am
Remove leftover support
f
o
r pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark Abraham
Fi
x
l
og file f
l
a
g ou
t
p
u
t
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
A
b
raham
Fix no
-
MPI
CUD
A
bu
i
ld
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Merge "Merge
b
r
a
nch
r
e
l
ease-2019 into
m
aster
"
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
Ab
r
a
h
am
Fix
c
la
n
g
unused-function war
n
ings
commit
|
commitdiff
|
tree
2019-09-23
M
ark Abraham
F
i
xes to brok
e
n CUDA comp
i
ler
f
lag
s
commit
|
commitdiff
|
tree
2019-09-23
M
ark Abraham
Fix 1D
-
1puls
e
supp
o
rt
commit
|
commitdiff
|
tree
2019-09-20
Mark Abraham
Refact
o
r to create
a
GpuTa
s
kAssig
n
ments
o
b
je
c
t
commit
|
commitdiff
|
tree
2019-09-19
M
a
r
k Abraham
Use GPU halo exchange on
l
y when compatible DD is availa
b
le
commit
|
commitdiff
|
tree
2019-09-19
Mark
A
brah
a
m
F
urther improve
g
etDDGridS
e
tup
commit
|
commitdiff
|
tree
2019-09-16
M
a
rk Abr
a
ha
m
Avoid short-ra
n
ge GPU
o
perati
o
ns with no work
commit
|
commitdiff
|
tree
2019-09-12
Mark Abraha
m
Disable report
-
methods end-to-end tes
t
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
M
ake gm
x
_
m
ultisim_t a
C
++ object
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Fix m
u
l
t
i
-sim restart handling in c
o
rner cases
commit
|
commitdiff
|
tree
2019-09-10
Ma
r
k Abraham
A
v
oid warning in no-mpi build
commit
|
commitdiff
|
tree
2019-09-10
M
ark Abraham
Use more RAII semantics with t_commr
e
c
commit
|
commitdiff
|
tree
2019-09-06
M
ark Abraham
Clean
up commrec uniform
l
y
commit
|
commitdiff
|
tree
2019-09-05
Mar
k
Abraham
U
pdate mdr
u
n
t
est compari
s
on infrastruc
t
ure
commit
|
commitdiff
|
tree
2019-09-03
Mark A
b
rah
a
m
S
i
m
plify energy-fi
l
e comparisons i
n
tests
commit
|
commitdiff
|
tree
2019-09-02
Ma
r
k Abraham
Mov
e
i
niti
a
lization of
clFFT
commit
|
commitdiff
|
tree
2019-08-30
M
ark Abraham
Fi
x
build matrices
commit
|
commitdiff
|
tree
2019-08-29
M
a
r
k Abra
h
am
Mo
r
e quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark Abrah
a
m
Fix integratio
n
is
s
ues
commit
|
commitdiff
|
tree
2019-08-28
M
a
rk Abraham
Improv
e
d u
s
abili
t
y of grom
p
p by rejecting
more in
v
ali
d
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark Abra
h
am
Add
integra
t
ion te
s
ts f
o
r
e
xact restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Ma
k
e FEP rerun tests c
o
ver
t
he intended la
m
bda sp
a
ce
commit
|
commitdiff
|
tree
2019-08-26
M
ark Abraham
C
o
nverted a C
U
DA
c
onfig t
o
us
e
clang
h
o
s
t
-
onl
y
com
p
ilation
commit
|
commitdiff
|
tree
2019-08-26
Mark
Abra
h
am
Fix pairlist bug
commit
|
commitdiff
|
tree
2019-08-23
Ma
r
k Abraham
Updat
e
cla
n
g
-
ti
d
y to clang version 8
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
Abraham
Merge b
r
anch r
e
lease-2019
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
I
m
prove clang-analy
z
er bui
l
d time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
F
ix release matrix
commit
|
commitdiff
|
tree
2019-08-21
M
ark A
b
rah
a
m
Improve
o
rg
a
n
i
zation of LIN
C
S rep
o
rting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-u
p
pe
r
c
a
s
e-literal-s
u
ffix
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Use pote
n
tial-shift as def
a
ult modifier
commit
|
commitdiff
|
tree
2019-08-20
Mar
k
Ab
r
aham
Reduce cosine acce
l
eration qua
n
tity properly
commit
|
commitdiff
|
tree
2019-08-20
M
a
rk Abra
h
am
Fix issues f
o
r cla
n
g-analyzer-
8
commit
|
commitdiff
|
tree
2019-08-19
M
ark Abraham
M
oderni
z
e
t_matrix, t_map
p
ing, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
M
o
d
e
rniz
e
t_psd
a
ta
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Update testing matrices an
d
fix war
n
ings
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Move
k
e
yvaluetreewrit
e
r code
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Stop nbnx
m
/gri
d
.
h depending on SIMD
m
odule
commit
|
commitdiff
|
tree
2019-08-15
M
ar
k
A
braham
R
e
mo
v
e run-time che
c
k
f
ro
m
c
al
c
_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mar
k
Abr
a
ham
Fi
x
vv in
t
egrators
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Re
m
ove w
o
rkaround
for bug
g
y
cmake
commit
|
commitdiff
|
tree
2019-08-13
Mark Abra
h
a
m
F
i
x icc 19 codege
n
issue
commit
|
commitdiff
|
tree
2019-08-12
Mark A
b
rah
a
m
Qui
e
t warning
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Fix o
c
l_ker
n
el t
a
rg
e
t
commit
|
commitdiff
|
tree
2019-08-08
Mark Abrah
a
m
Fix esti
m
a
te of
t
he size of a j list
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
I
n
i
t
i
a
lize gmx_ekindata_t and t
_
vcm
prop
e
rly
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
S
t
op
t
esti
n
g I
C
C on Window
s
commit
|
commitdiff
|
tree
2019-08-06
Mark A
b
r
ah
a
m
Fix fo
r
MSVC+C
U
DA
commit
|
commitdiff
|
tree
2019-08-05
M
ark
A
braham
Add
q
uote
commit
|
commitdiff
|
tree
2019-08-05
M
a
r
k
Abraham
Remov
e
libgr
o
macs
_
genera
t
ed
c
ontributions from FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark
A
braham
Manage compiler f
l
ags and some include options pe
r
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
Improve
use of o
b
ject librar
i
es i
n
libgromacs
commit
|
commitdiff
|
tree
2019-08-01
Mark
A
braham
Mer
g
e
"
M
erge rel
e
ase-2019 into master"
commit
|
commitdiff
|
tree
2019-07-24
M
a
r
k Abraham
R
emove te
s
ts of
make
_
u
n
i
q
ue
commit
|
commitdiff
|
tree
2019-07-23
Ma
r
k Abraham
Update
d
e
velop
e
r
g
u
ide
commit
|
commitdiff
|
tree
2019-07-16
M
ark Abraham
Add gpubufferops t
e
st
m
a
t
rix
commit
|
commitdiff
|
tree
2019-07-11
Mark Abraham
Fix pr
e
-submit bu
i
ld
m
a
trix and description
commit
|
commitdiff
|
tree
2019-07-08
M
a
rk A
b
raha
m
Fix
h
w
l
oc and sphi
n
x
detection
commit
|
commitdiff
|
tree
2019-07-08
Mark Abrah
a
m
Test specific
hw
l
oc versions
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Improve
t
e
sts
of index b
l
ock
constructio
n
commit
|
commitdiff
|
tree
2019-07-05
Mark Ab
r
aham
M
o
d
e
rniz
e
FindHwloc
.
cmake
commit
|
commitdiff
|
tree
2019-07-04
Mar
k
Abraha
m
Further cl
a
ng-tid
y
-
7
fix
commit
|
commitdiff
|
tree
2019-07-04
Mark
Abraham
F
ix clang-tidy-7 issues
commit
|
commitdiff
|
tree
2019-07-03
Mark Abraham
Reorder
options
commit
|
commitdiff
|
tree
2019-07-02
Mark Abraham
Clarify wordin
g
of release no
t
es
commit
|
commitdiff
|
tree
2019-06-18
Mark
Abraham
Move code handlin
g
m
drun -gpu_id to taskassi
g
nment
.
.
.
commit
|
commitdiff
|
tree
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