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Update instructions in containers.rst
2019-12-06
Mark Abrah
a
m
Pro
v
ide mor
e
feedback
when listed
force
s
tests fail
commit
|
commitdiff
|
tree
2019-12-04
Ma
r
k
Abraham
Added OpenC
L
build to re
l
e
ase
m
atrix
commit
|
commitdiff
|
tree
2019-12-04
M
a
rk
A
braham
Removed unne
c
e
s
sary li
n
k_directories comm
a
nd for gtest
commit
|
commitdiff
|
tree
2019-12-01
Mark A
b
raham
Further improve taskassign
m
ent e
x
c
e
ption handling
commit
|
commitdiff
|
tree
2019-11-29
Ma
r
k A
b
raham
Me
r
ge
b
ra
n
ch relea
s
e
-2
0
19 into rel
e
ase-2020
commit
|
commitdiff
|
tree
2019-11-27
Mark Ab
r
a
ham
D
isable GPU PME-PP communication w
i
t
h mdrun -pmefft cpu
commit
|
commitdiff
|
tree
2019-11-26
Mark Ab
r
aham
Impro
v
e handling of task-assignment exceptions
commit
|
commitdiff
|
tree
2019-11-26
Mark Ab
r
a
h
am
Relax
tolerance for
bd te
s
ts
commit
|
commitdiff
|
tree
2019-11-21
Mark Abraham
Merge
b
r
anch
release-2020
commit
|
commitdiff
|
tree
2019-11-21
Mark A
b
raham
New cool
q
uote
commit
|
commitdiff
|
tree
2019-11-20
M
a
r
k
Abraham
Q
u
i
et uninitialized variable warning
w
ith clang 9
commit
|
commitdiff
|
tree
2019-11-19
Mark Abrah
a
m
Updated rele
a
s
e notes for CODATA
update
commit
|
commitdiff
|
tree
2019-11-16
Mark A
b
raham
Relaxe
d
listed f
o
rce
s
t
est tolerance
s
commit
|
commitdiff
|
tree
2019-11-16
Mark Abr
a
ham
Stop testing that h
w
loc cache-size detection works
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
M
ark Abraham
Te
s
ts for
va
l
id pe
r
iodic act
i
on
s
commit
|
commitdiff
|
tree
2019-10-13
Mark Ab
r
aham
E
n
su
r
e environment vari
a
ble use
d
oes not g
i
ve warning
s
commit
|
commitdiff
|
tree
2019-10-07
Mark Ab
r
aham
Extend
GPU traits class
commit
|
commitdiff
|
tree
2019-10-04
Mar
k
Ab
r
a
ham
Fix that
t
ests
intended f
o
r
m
ultiple
r
anks run that way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
Im
p
rove PME testi
n
g
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Move GPU
t
a
sk assignment
commit
|
commitdiff
|
tree
2019-10-01
Mark
Abraham
Fix icc wa
r
nings
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraham
Remove
d
dependency
on commrec
o
f
mdrun setu
p
commit
|
commitdiff
|
tree
2019-09-30
Mark Abraham
Make a builder for
DD
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk
Abraham
Imp
r
ove
M
iMi
C
test implem
e
nta
t
ion
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Stop c
h
ec
k
ing CUDA version
r
epo
r
ted by nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Abra
h
am
Fix gro
f
ile output wi
t
h i
n
dex groups
commit
|
commitdiff
|
tree
2019-09-27
M
a
rk Abraha
m
Add tests f
o
r
e
ditconf file c
o
nv
e
rsion wit
h
indexing
commit
|
commitdiff
|
tree
2019-09-27
Mark
Abrah
a
m
Fix
g
ro file output
with index g
r
oups
commit
|
commitdiff
|
tree
2019-09-27
Ma
r
k Ab
r
aham
Remove leftover su
p
por
t
for pre-9
.
0 CUDA
commit
|
commitdiff
|
tree
2019-09-25
Mark
A
braham
Fix lo
g
f
i
le flag output
commit
|
commitdiff
|
tree
2019-09-24
M
ark Abr
a
ham
Fix no-MPI CUDA b
u
ild
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
A
b
r
aham
Merge
"Merge br
a
n
ch release
-
201
9
into mast
e
r"
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
F
i
x c
l
ang unused-function wa
r
n
ings
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fixes to broken CUDA compile
r
flags
commit
|
commitdiff
|
tree
2019-09-23
Mark Abraham
Fix 1D-1pulse
s
upport
commit
|
commitdiff
|
tree
2019-09-20
Mark Ab
r
aham
Re
f
actor
to create a Gpu
T
a
s
kAss
i
g
n
ments object
commit
|
commitdiff
|
tree
2019-09-19
Mark
A
braha
m
Use G
P
U halo exchange
o
n
ly when compatible DD is ava
i
labl
e
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
A
b
rah
a
m
Further imp
r
ove ge
t
DDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark A
b
raham
Avo
i
d short-r
a
nge GPU operati
o
ns
w
ith no work
commit
|
commitdiff
|
tree
2019-09-12
Mark
A
b
raham
Disable report-met
h
ods end-to-end test
commit
|
commitdiff
|
tree
2019-09-11
Mark Abraham
Make gmx_multisim_t a C++ o
b
j
e
ct
commit
|
commitdiff
|
tree
2019-09-11
Mark
Ab
r
aham
F
ix m
u
lti-sim restart han
d
ling
in
co
r
ner cases
commit
|
commitdiff
|
tree
2019-09-10
Mar
k
Abr
a
ham
Avoid warning
i
n
n
o-mpi
b
uild
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use mo
r
e RAII semantic
s
with t_commrec
commit
|
commitdiff
|
tree
2019-09-06
Mar
k
Abraham
Clean up co
m
mrec uniforml
y
commit
|
commitdiff
|
tree
2019-09-05
Mark Abraham
Update
mdrun test comparison infras
t
ructu
r
e
commit
|
commitdiff
|
tree
2019-09-03
Mark Abraham
S
i
mplify ene
r
gy-file comparisons
i
n tests
commit
|
commitdiff
|
tree
2019-09-02
Mar
k
Abra
h
am
Move
i
nitia
l
i
zation of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark Abraham
Fix build matrices
commit
|
commitdiff
|
tree
2019-08-29
Mark Abraham
More
quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark Ab
r
aham
F
ix
in
t
e
g
r
a
tion issues
commit
|
commitdiff
|
tree
2019-08-28
Mark
Abra
h
a
m
Improved
u
s
a
bility o
f
grompp by rejecting
m
ore inv
a
lid
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
Mark Abraham
Ad
d
integr
a
t
i
on tests
f
o
r
exact r
e
starts
commit
|
commitdiff
|
tree
2019-08-26
Ma
r
k Abraham
Make FEP rerun t
e
s
t
s cover the intende
d
lambd
a
space
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraha
m
Converted a CUDA config t
o
use clang h
o
st-only compila
t
i
o
n
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Fix pairlis
t
bug
commit
|
commitdiff
|
tree
2019-08-23
Mark Abraham
U
p
date clang-ti
d
y to
c
lan
g
version 8
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
A
br
a
ham
Merg
e
branc
h
release-2019
commit
|
commitdiff
|
tree
2019-08-22
Mar
k
Abra
h
am
I
mprove clang
-
ana
l
yzer build time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix release matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark Abraham
Improve organiz
a
tion of LINCS reporting
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Apply clang-
t
idy-8 readability-up
p
ercase-litera
l
-suffix
commit
|
commitdiff
|
tree
2019-08-20
M
a
r
k
Abr
a
h
a
m
U
s
e potential-shif
t
as de
f
ault modifier
commit
|
commitdiff
|
tree
2019-08-20
Mark Ab
r
aham
R
educe
cosine accelera
t
ion q
u
antity pr
o
perly
commit
|
commitdiff
|
tree
2019-08-20
Mar
k
Abraham
Fix
i
s
sues for
c
lang-analyzer-8
commit
|
commitdiff
|
tree
2019-08-19
M
a
rk Ab
r
aham
Moder
n
ize t_m
a
trix, t_mappi
n
g, t
_
rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark
Ab
r
a
ham
Mo
d
er
n
iz
e
t_psdata
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Update testing matrices and
f
ix wa
r
nings
commit
|
commitdiff
|
tree
2019-08-16
Mark
A
braham
Move keyvaluetreewrit
e
r c
o
de
commit
|
commitdiff
|
tree
2019-08-16
Mark Abraham
Stop nbnxm/
g
rid
.
h depending
o
n SIMD module
commit
|
commitdiff
|
tree
2019-08-15
Mark
A
b
r
aham
Remove run-time check from
cal
c
_
shi
f
ts
commit
|
commitdiff
|
tree
2019-08-14
Mark A
b
raha
m
Fi
x
vv
i
ntegr
a
tors
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraha
m
R
e
move work
a
roun
d
for bugg
y
c
m
a
k
e
commit
|
commitdiff
|
tree
2019-08-13
Mark Abraham
Fix icc 19 cod
e
gen
issue
commit
|
commitdiff
|
tree
2019-08-12
Mark
A
braham
Quiet warnin
g
commit
|
commitdiff
|
tree
2019-08-12
M
ark Ab
r
a
h
a
m
Fix ocl_kern
e
l target
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
F
i
x
estima
t
e of the size
of a
j
l
i
st
commit
|
commitdiff
|
tree
2019-08-08
Mark
A
b
r
a
ha
m
Initialize gmx_e
k
indata_t and t_vcm pro
p
er
l
y
commit
|
commitdiff
|
tree
2019-08-08
Mark
Abraha
m
Stop testing ICC on Windows
commit
|
commitdiff
|
tree
2019-08-06
M
ar
k
Abra
h
am
Fix for MSVC+CUDA
commit
|
commitdiff
|
tree
2019-08-05
Mark Abraham
Add qu
o
t
e
commit
|
commitdiff
|
tree
2019-08-05
M
a
r
k
A
b
raham
Remove lib
g
rom
a
c
s
_generate
d
contr
i
b
u
tion
s
from FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
M
a
rk Abr
a
ham
Man
a
ge com
p
iler flag
s
and some
incl
u
de
options
per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark Abr
a
h
am
Improve
u
se
o
f
object libraries
in
libgr
o
macs
commit
|
commitdiff
|
tree
2019-08-01
Mark Abraham
M
e
rge "Merge release-2
0
19 in
t
o master
"
commit
|
commitdiff
|
tree
2019-07-24
Mark Abraham
Remo
v
e
t
ests of make_
u
nique
commit
|
commitdiff
|
tree
2019-07-23
Mark Abraham
Updat
e
d
eveloper gui
d
e
commit
|
commitdiff
|
tree
2019-07-16
Mark
A
braham
Add g
p
ubuf
f
er
o
ps test matrix
commit
|
commitdiff
|
tree
2019-07-11
Mark Abraham
Fix pre-submi
t
buil
d
mat
r
ix and descrip
t
ion
commit
|
commitdiff
|
tree
2019-07-08
Mark
Abra
h
a
m
F
i
x hwloc and
sphinx detection
commit
|
commitdiff
|
tree
2019-07-08
Mark Abrah
a
m
Te
s
t
specific
h
wloc
versions
commit
|
commitdiff
|
tree
2019-07-05
Mark Abr
a
ha
m
Improve
t
e
sts of index bl
o
ck c
o
nstr
u
ct
i
o
n
commit
|
commitdiff
|
tree
2019-07-05
M
ark Abraham
Mode
r
nize FindH
w
lo
c
.
cma
k
e
commit
|
commitdiff
|
tree
2019-07-04
Mark Abrah
a
m
Further clan
g
-
tidy-7
f
ix
commit
|
commitdiff
|
tree
2019-07-04
M
ark Abraham
F
i
x cl
a
ng-tidy-7 issues
commit
|
commitdiff
|
tree
2019-07-03
Mark Abraham
Reorder
options
commit
|
commitdiff
|
tree
2019-07-02
M
ark Abrah
a
m
Clarify wording o
f
release no
t
e
s
commit
|
commitdiff
|
tree
2019-06-18
M
ark
A
bra
h
am
Move cod
e
handli
n
g mdrun
-gp
u
_id to taskassignment
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
Mark Abraha
m
Fix pygmen
t
s dete
c
tion for sphinx for docs
build
commit
|
commitdiff
|
tree
2019-06-11
Mark
A
b
r
aham
Use
R
AII ap
p
roach
e
s fo
r
hardware inform
a
tion
d
e
tect
i
on
commit
|
commitdiff
|
tree
next