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Update GoogleTest to v1.8.1
2019-10-04
Mark Abraham
Fix t
h
at tes
t
s intend
e
d
f
or mult
i
ple ranks run that way
commit
|
commitdiff
|
tree
2019-10-02
Mark Abraham
Imp
r
ove PME testing
commit
|
commitdiff
|
tree
2019-10-01
Mark
Abraham
Move GPU task as
s
ig
n
ment
commit
|
commitdiff
|
tree
2019-10-01
Mark Abraha
m
F
i
x
ic
c
warnings
commit
|
commitdiff
|
tree
2019-10-01
M
ark Abra
h
am
Removed dependency on commrec
of mdrun setup
commit
|
commitdiff
|
tree
2019-09-30
Mar
k
Abrah
a
m
M
a
ke a builder
f
o
r DD
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
A
b
raha
m
I
m
pro
v
e
M
iMiC test implementa
t
i
on
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraham
Stop checking
CUDA versi
o
n reported by
nvcc
commit
|
commitdiff
|
tree
2019-09-27
Mark Ab
r
aham
F
i
x gro
f
i
l
e o
u
tput with index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abraha
m
Add tests for editconf file conversion with ind
e
xing
commit
|
commitdiff
|
tree
2019-09-27
Mar
k
Abraham
Fi
x
gro file o
u
tput with index groups
commit
|
commitdiff
|
tree
2019-09-27
Mark Abra
h
am
R
e
m
o
v
e leftover support for
p
re-9
.
0
C
UDA
commit
|
commitdiff
|
tree
2019-09-25
Ma
r
k Abraham
F
ix log file fl
a
g output
commit
|
commitdiff
|
tree
2019-09-24
Mark Abraham
Fix no-MPI CUDA
b
uild
commit
|
commitdiff
|
tree
2019-09-24
Mark
Abr
a
ha
m
Merge "Merge branch
re
l
ease-20
1
9 into m
a
s
ter"
commit
|
commitdiff
|
tree
2019-09-24
Mar
k
A
b
r
a
ham
Fix clang
unused-
f
unction
w
arnings
commit
|
commitdiff
|
tree
2019-09-23
M
ark Abraham
Fixes to broken CUDA compiler
f
l
ags
commit
|
commitdiff
|
tree
2019-09-23
Mark Abr
a
ha
m
Fix 1D
-
1pu
l
se support
commit
|
commitdiff
|
tree
2019-09-20
M
a
r
k
Abraham
Ref
a
ctor to create a GpuTa
s
kAssignments object
commit
|
commitdiff
|
tree
2019-09-19
Mar
k
Ab
r
aham
Use
G
PU halo exchange only when compatib
l
e DD is availab
l
e
commit
|
commitdiff
|
tree
2019-09-19
Mark Abraham
Further im
p
rove ge
t
DDGridSetup
commit
|
commitdiff
|
tree
2019-09-16
Mark
A
b
raham
Avoid
sh
o
rt
-
range GPU operati
o
ns
wit
h
no work
commit
|
commitdiff
|
tree
2019-09-12
Ma
r
k
Abraham
D
i
sabl
e
report-methods end-to-end test
commit
|
commitdiff
|
tree
2019-09-11
M
a
rk Abraha
m
Make gmx
_
mul
t
isim_t a C++
object
commit
|
commitdiff
|
tree
2019-09-11
Mark
A
b
raham
Fix m
u
lti-sim restar
t
ha
n
d
l
i
ng in corner cases
commit
|
commitdiff
|
tree
2019-09-10
Mark Abra
h
am
Avoid
warnin
g
in no-mpi bui
l
d
commit
|
commitdiff
|
tree
2019-09-10
Mark Abraham
Use mor
e
RAII s
e
mant
i
c
s with t_co
m
mrec
commit
|
commitdiff
|
tree
2019-09-06
M
a
r
k
Abraham
Clean up commrec uniforml
y
commit
|
commitdiff
|
tree
2019-09-05
Ma
r
k Abraham
Upda
t
e mdrun t
e
st co
m
parison
i
nfr
a
structure
commit
|
commitdiff
|
tree
2019-09-03
M
ark Abraham
Simplify energy-f
i
le co
m
parisons i
n
tests
commit
|
commitdiff
|
tree
2019-09-02
Mark Abrah
a
m
Move ini
t
ialization of clFFT
commit
|
commitdiff
|
tree
2019-08-30
Mark A
b
rah
a
m
Fi
x
build matri
c
es
commit
|
commitdiff
|
tree
2019-08-29
M
ark Abrah
a
m
More quotes
commit
|
commitdiff
|
tree
2019-08-28
Mark
Abraha
m
Fix integration issues
commit
|
commitdiff
|
tree
2019-08-28
Mark A
b
raham
I
mproved u
s
ability of grompp by reject
i
ng
more invali
d
.
.
.
commit
|
commitdiff
|
tree
2019-08-27
M
ark Abraha
m
Add int
e
g
r
ation t
e
s
t
s for exact restarts
commit
|
commitdiff
|
tree
2019-08-26
Mark
A
b
r
ah
a
m
Mak
e
FEP rerun tests cover
t
h
e intende
d
lambda
s
pace
commit
|
commitdiff
|
tree
2019-08-26
M
a
rk Abraha
m
Converted a C
U
DA con
f
ig to
use clang host-onl
y
c
o
m
pil
a
tion
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Fix p
a
irli
s
t
b
ug
commit
|
commitdiff
|
tree
2019-08-23
M
ark
Abraham
Up
d
ate clang-tidy to
c
lang version 8
commit
|
commitdiff
|
tree
2019-08-22
M
a
rk Ab
r
aham
Merge branch
release-2019
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
I
m
prove c
l
an
g
-analyzer
b
u
i
ld time
commit
|
commitdiff
|
tree
2019-08-22
Mark Abraham
Fix
r
elease
matrix
commit
|
commitdiff
|
tree
2019-08-21
Mark
A
bra
h
a
m
I
mprove orga
n
ization of
LIN
C
S rep
o
rti
n
g
commit
|
commitdiff
|
tree
2019-08-20
Mar
k
Abr
a
ham
A
p
ply c
l
ang-ti
d
y-
8
readability-u
p
pe
r
case-literal-suffix
commit
|
commitdiff
|
tree
2019-08-20
Mark Abra
h
am
Use pote
n
tial-shift
as defaul
t
modifier
commit
|
commitdiff
|
tree
2019-08-20
M
ar
k
Abraham
Reduce cosine acc
e
leration quantity proper
l
y
commit
|
commitdiff
|
tree
2019-08-20
Mark Abraham
Fix issues
f
o
r clang-an
a
ly
z
er-8
commit
|
commitdiff
|
tree
2019-08-19
Mark
A
bra
h
am
Modern
i
ze t_matr
i
x, t_mapping, t_rgb
commit
|
commitdiff
|
tree
2019-08-19
Mark Abraham
M
odern
i
ze
t
_
p
s
data
commit
|
commitdiff
|
tree
2019-08-16
Mar
k
Abrah
a
m
Update testing matrices a
n
d fix
w
arnin
g
s
commit
|
commitdiff
|
tree
2019-08-16
M
a
rk
A
braha
m
Move ke
y
va
l
u
e
treew
r
ite
r
code
commit
|
commitdiff
|
tree
2019-08-16
Mark
A
braham
Stop nb
n
xm/grid
.
h depending on SIMD module
commit
|
commitdiff
|
tree
2019-08-15
Mark Abraham
R
emove
r
un-t
i
me chec
k
from calc_shifts
commit
|
commitdiff
|
tree
2019-08-14
Mark Abraham
Fix vv
i
ntegr
a
tors
commit
|
commitdiff
|
tree
2019-08-13
Mark
A
braha
m
Remove workaround for
buggy cmake
commit
|
commitdiff
|
tree
2019-08-13
M
a
rk Abraham
Fix icc 19 code
g
en issue
commit
|
commitdiff
|
tree
2019-08-12
Mark Abraham
Quiet warni
n
g
commit
|
commitdiff
|
tree
2019-08-12
Ma
r
k
A
braham
Fix ocl_ker
n
e
l
t
a
r
ge
t
commit
|
commitdiff
|
tree
2019-08-08
Mark Abraham
Fix estimate of the siz
e
o
f
a j list
commit
|
commitdiff
|
tree
2019-08-08
Mark Abr
a
ha
m
Initialize gmx
_
ekindata_t and t_vcm properly
commit
|
commitdiff
|
tree
2019-08-08
Mark Ab
r
aham
Stop
t
esting ICC o
n
Windows
commit
|
commitdiff
|
tree
2019-08-06
Mar
k
Abrah
a
m
F
i
x for M
S
V
C+CU
D
A
commit
|
commitdiff
|
tree
2019-08-05
Mar
k
Abraham
Add
quote
commit
|
commitdiff
|
tree
2019-08-05
Mark Abraham
Re
m
o
ve li
b
gromacs_generat
e
d
contribu
t
ions
fro
m
FindCUDA
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Mark
A
bra
h
am
Man
a
ge
c
ompiler
f
lags and some
i
n
c
lude options per
.
.
.
commit
|
commitdiff
|
tree
2019-08-01
Ma
r
k Abraham
Improve use
of o
b
j
e
ct
l
ibrar
i
e
s
in libgromacs
commit
|
commitdiff
|
tree
2019-08-01
M
a
rk Abrah
a
m
Merge "M
e
rge release-
2
019 i
n
t
o master"
commit
|
commitdiff
|
tree
2019-07-24
Mar
k
A
braham
Remove tests of make_unique
commit
|
commitdiff
|
tree
2019-07-23
Mark Abrah
a
m
Update developer
g
u
ide
commit
|
commitdiff
|
tree
2019-07-16
Mark Abra
h
am
Add gp
u
b
ufferop
s
test matrix
commit
|
commitdiff
|
tree
2019-07-11
Mar
k
Abraha
m
Fix pre-subm
i
t build matrix and description
commit
|
commitdiff
|
tree
2019-07-08
Mark Abr
a
ham
Fix hwloc a
n
d sphinx detection
commit
|
commitdiff
|
tree
2019-07-08
M
a
rk Abrah
a
m
Test specific hwl
o
c
v
ersions
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Improve test
s
of index
blo
c
k const
r
uction
commit
|
commitdiff
|
tree
2019-07-05
Mark Abraham
Modernize Fi
n
dHwloc
.
cma
k
e
commit
|
commitdiff
|
tree
2019-07-04
Ma
r
k
Abraham
Further c
l
a
ng-tidy-7
f
ix
commit
|
commitdiff
|
tree
2019-07-04
Mark Abraham
Fix c
l
a
ng-tidy
-
7
i
s
sues
commit
|
commitdiff
|
tree
2019-07-03
Mark Abraham
R
eor
d
er options
commit
|
commitdiff
|
tree
2019-07-02
Mark
Abraham
Clarify
wording of release
notes
commit
|
commitdiff
|
tree
2019-06-18
Mar
k
A
b
raham
Move code handlin
g
mdr
u
n
-
gp
u
_id t
o
taskassignment
.
.
.
commit
|
commitdiff
|
tree
2019-06-12
Mark Abraham
Fix pygment
s
d
e
tecti
o
n
for sphinx fo
r
docs build
commit
|
commitdiff
|
tree
2019-06-11
M
ark Abraham
Use RAII appr
o
a
ches f
o
r
h
a
rdware
i
nf
o
rmation det
e
ct
i
on
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
Clean up multisim, communication
,
a
nd
R
EMD c
o
de
commit
|
commitdiff
|
tree
2019-06-11
Mark Abraham
Initialize all
of g
m
x_domd
e
c_c
o
m
m_t
commit
|
commitdiff
|
tree
2019-05-24
M
a
rk
Abraham
R
e
o
rder code before th
r
ea
d
-
M
PI spawns thr
e
ads
commit
|
commitdiff
|
tree
2019-05-23
Ma
r
k Abraham
Teach Arra
y
R
e
fWith
P
a
d
ding to m
a
ke
a
const flavou
r
commit
|
commitdiff
|
tree
2019-05-23
Mark Abraham
R
evert "Fixed dvdlambda
f
o
r SHAKE + FE"
commit
|
commitdiff
|
tree
2019-05-22
Mark Abraham
R
e
write s
t
artin
g
b
e
havior
commit
|
commitdiff
|
tree
2019-05-22
Mark Abraha
m
Introduce tri-s
t
ate
e
n
u
ms for res
t
arts
commit
|
commitdiff
|
tree
2019-05-22
Mar
k
Abr
a
ham
M
o
ve f
u
n
c
tionalit
y
t
o mdrunutility
commit
|
commitdiff
|
tree
2019-05-20
Mark Abraham
Fix equa
t
ion typo
commit
|
commitdiff
|
tree
2019-05-14
Mar
k
Abraha
m
U
p
date infr
a
s
t
r
u
cture
needed for r
e
start r
e
w
r
ite
commit
|
commitdiff
|
tree
2019-05-08
Mark Abraham
Provide hook for forks o
f
GROMACS to describe t
h
emselves
commit
|
commitdiff
|
tree
2019-05-07
Mark Abraham
Prov
i
de bette
r
help for using li
b
c++
commit
|
commitdiff
|
tree
2019-05-07
Mark Abraham
Add an e
x
amp
l
e of
using an MPI wrapper co
m
piler
commit
|
commitdiff
|
tree
2019-05-06
M
a
rk Abraha
m
Imp
r
ove how mdrun -no
a
pp
e
n
d
name
s
output fil
e
s
commit
|
commitdiff
|
tree
2019-05-03
Mark Ab
r
aham
More
t
e
s
ts for how mdrun -cpi
r
estart
s
handle files
commit
|
commitdiff
|
tree
2019-05-02
Mark Abraham
Enhance
path
se
a
rch
functions
commit
|
commitdiff
|
tree
2019-04-30
Mark Abraham
Test the output of "gmx mdr
u
n
h
elp"
commit
|
commitdiff
|
tree
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