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Fix FindCUDA.cmake for -Wundef
2017-11-19
Mark Abra
h
a
m
F
ix FindCUD
A
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Ma
r
k
A
braham
Use HostAllocationPolicy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abrah
a
m
Add checking f
u
ncti
o
n
for wheth
e
r
a buffer is
p
inn
e
d
commit
|
commitdiff
|
tree
2017-11-17
Mark
A
braham
Impr
o
ve handling
o
f PME GPU fo
r
ce buf
f
er
commit
|
commitdiff
|
tree
2017-11-10
Mark
A
braham
Impo
r
t cmake Modu
l
e
s
/FindCUDA
.
c
m
ak
e
commit
|
commitdiff
|
tree
2017-11-09
Mark Abrah
a
m
Prepared t_mdatoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark
A
braham
Int
r
oduc
e
Host
A
llocat
i
onPoli
c
y
commit
|
commitdiff
|
tree
2017-11-07
M
ark Abra
h
am
R
eform gmx_pme_
p
p alloc and use vector
commit
|
commitdiff
|
tree
2017-11-07
M
ark A
b
raham
Introduc
e
gmxope
n
cl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Tes
t
clang on A
R
M
i
n nightly matr
i
x
commit
|
commitdiff
|
tree
2017-11-07
Mark Abrah
a
m
Improve PME inc
l
udes
commit
|
commitdiff
|
tree
2017-11-03
Mark
Abraham
Merge "Merge branc
h
rel
e
ase-201
6
"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
Merge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abr
a
ham
Fix thread-MPI rank
c
hoi
c
e fo
r
o
r
ien
t
atio
n
restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Im
p
rove handl
i
ng
of
GPU
IDs
commit
|
commitdiff
|
tree
2017-10-31
M
ark Abr
a
ham
Update t
r
eatment of GPU compatibility data struct
u
re
commit
|
commitdiff
|
tree
2017-10-30
Mark Abraha
m
F
i
x and u
p
date hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
Fix h
w
detection mor
e
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k
Abraha
m
Make relea
s
e mat
r
i
x work
again
commit
|
commitdiff
|
tree
2017-10-26
Mark
A
brah
a
m
New qu
o
te
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraha
m
Teach the copyright
checker abou
t
template
.
c
p
p
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Abraha
m
C
lari
f
y docs
f
or Fmax i
n
EM
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Merge br
a
nch
r
elease-2
0
16
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
Merge branc
h
release-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
U
pdate tests
f
or C++11 compiler and standard
l
ibrary
commit
|
commitdiff
|
tree
2017-10-13
M
ark Abraha
m
Fix c
p
uinfo on clang + non
-
x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Intro
d
uced
header for co
m
mun
i
cation to/from P
M
E rank
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Clean
e
d up ewaldcoeff for PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
A
br
a
ham
Use clang-5
i
n Jenkin
s
commit
|
commitdiff
|
tree
2017-10-07
Mark
Abraham
Tell c
p
pch
e
ck th
a
t
.
c
p
p an
d
.
c
u fi
l
e
s are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
C
o
ntinue removing
-nb gpu
_
cp
u
commit
|
commitdiff
|
tree
2017-10-04
Mark
Ab
r
aham
Ena
b
l
e
grou
p
-sche
m
e SIMD with G
M
X_S
I
MD=AVX
2
_128
commit
|
commitdiff
|
tree
2017-10-03
Mar
k
A
b
raham
I
n
troduce and use AlignedAlloc
a
t
i
onPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
Update testing mat
r
ices to test with (latest) i
c
c-18
commit
|
commitdiff
|
tree
2017-09-17
M
a
rk Abraham
Merge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark
Abraham
Express intent o
f
m
a
t
r
ix release
build t
y
pes expl
i
citly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Bumped patch
versio
n
f
or next rel
e
ase
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Version
2
016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Ma
r
k
A
braham
Form tas
k
assi
g
nme
n
t module
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix
c
ompat module definition
commit
|
commitdiff
|
tree
2017-09-12
Ma
r
k
A
braham
Merge branch
r
e
lease-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
I
n
t
r
o
duce type-safe GPU
e
m
ulation var
i
ables
commit
|
commitdiff
|
tree
2017-09-07
Mark
Abraham
Enab
l
e
gr
o
up-s
c
h
eme SI
M
D
kernels on recent AVX ex
t
ensions
commit
|
commitdiff
|
tree
2017-09-06
M
a
rk Abraham
P
re
p
are Verlet scheme l
a
ter
i
n
r
unner
commit
|
commitdiff
|
tree
2017-09-05
Mar
k
Abraham
Fixes for Solar
i
s
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix use of G
P
U i
n
f
ormation for thread
-
MP
I
setup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abra
h
am
Fix
compiler flags for using MKL
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Merge branch
r
el
e
ase-5-1 into releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abr
a
h
am
Fix flat-bottomed
position restrain
t
s with mul
t
iple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Ab
r
a
h
am
Stoppe
d
checkpoint infl
u
enc
i
ng
p
arallelism setup
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Abraham
Run GPU detection eve
n
for mdrun
-
nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fixed thread-MPI with non-
d
e
f
ault -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fix missing declaration
of GMX_UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merge branch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark
Abra
h
am
Move
d
i
ncrease_
n
stlist()
to n
b
nxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark
Abraham
Fix c
o
mpil
a
tion issues w
i
th ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Ma
r
k
Abraha
m
Re
p
lace consistency checking with
a
ss
e
rt
i
on
commit
|
commitdiff
|
tree
2017-08-16
Mark Ab
r
aham
Parse user-supplied G
P
U task assignm
e
nt only when nee
d
e
d
commit
|
commitdiff
|
tree
2017-08-16
M
ark Abraham
Re
m
o
v
e
d
uplicate GPU non-usa
g
e hi
n
t
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k
A
b
raham
M
o
ved logging functionality int
o
GPU usage report
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge branch re
l
e
a
se-5-1 into release-20
1
6
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Fix
v
alue o
f
Ew
a
ld shift
commit
|
commitdiff
|
tree
2017-08-10
M
a
rk Abraham
Clarif
y
data fl
o
w in GP
U
ta
s
k ass
i
g
nment
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Fix
include dependency for ge
t
env
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k
Abraham
Si
m
p
li
f
ied handli
n
g of GPU device IDs
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k
A
brah
a
m
Sim
p
l
i
f
y
r
esourc
e
-divi
s
ion eff
i
ciency check
commit
|
commitdiff
|
tree
2017-08-06
Mark Ab
r
ah
a
m
S
plit
printhardware f
r
om det
e
cthardware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decoup
l
e task assignmen
t
from
t
a
sk e
x
ecution
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k Abraham
Re
m
oved unused host-sid
e
al
l
o
cati
o
n code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abrah
a
m
S
t
op usi
n
g hwinfo
_
g for rep
o
r
t
ing code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
R
e
mov
e
d u
n
u
sed include
statement
s
commit
|
commitdiff
|
tree
2017-08-01
Mark
Abraham
I
ntroduc
e
d Mdrunner high-level class
commit
|
commitdiff
|
tree
2017-07-27
Ma
r
k
Abraha
m
Enhance cmake and releng handling of GMX_USE_RDT
S
CP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abra
h
a
m
Separ
a
ted responsibili
t
y for
c
onsistency checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove unnecessary GPU c
h
ecking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
C
leaned up bUseGpu in runne
r
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
Abra
h
am
St
o
p du
p
licate printing of detected GPU
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abr
a
ham
Fix use of GMX_SI
M
D in
o
wn
-
fftw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Ma
d
e
post-submit con
f
ig to test clan
g
+open
m
p
.
commit
|
commitdiff
|
tree
2017-07-19
M
ark A
b
raham
Improve CMake impl
e
mentati
o
n
for GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Ma
r
k Abraham
Con
v
erted
some const pointer
s
into const references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Ab
r
aham
Eliminated pic
k
_nbnx
n
_
r
e
so
u
rce
s
commit
|
commitdiff
|
tree
2017-07-14
Ma
r
k Abraham
Implemented grompp -po
for options-style mdp handlin
g
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Abra
h
am
Clean u
p
cmake bu
i
ld host
d
etecti
o
n
commit
|
commitdiff
|
tree
2017-07-13
Mark Abra
h
a
m
C
lean
up gmx_mdrun
(
)
commit
|
commitdiff
|
tree
2017-07-13
Mark
A
b
raham
Cleane
d
up mdrunner_start_threads
commit
|
commitdiff
|
tree
2017-07-13
M
a
rk Abra
h
am
More up
d
ates to tes
t
ing
matr
i
x
commit
|
commitdiff
|
tree
2017-07-07
Mark A
b
r
aham
Re
f
actor error h
a
ndling in init
_
gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark
Abra
h
am
Simplify gmx_gpu_o
p
t_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraha
m
Clean
u
p pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark A
b
raham
Cleaned up GPU emu
l
ation logic
commit
|
commitdiff
|
tree
2017-06-28
Mark
Abraham
Cleaned u
p
hi
g
h-
l
eve
l
boolean variable
n
aming
commit
|
commitdiff
|
tree
2017-06-28
M
ark
A
b
raham
Fix s
p
ecificati
o
n
for gcc-6
commit
|
commitdiff
|
tree
2017-06-28
M
a
r
k
Abraham
Me
r
ge branch release-201
6
commit
|
commitdiff
|
tree
2017-06-27
Mark Abr
a
ha
m
M
i
nor
im
p
rovem
e
nt
s
to test
con
f
igs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated l
o
gic for choos
i
ng number of
thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
ar
k
Abra
h
am
Replace misnamed nbnxn_gpu_acceleration_supported
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k Abraham
Consolidate and fix logic fo
r
mdrun
-nb an
d
-
g
puid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Re
f
orm ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Ab
r
aham
Re
m
ove bUserSe
t
GpuIds field
commit
|
commitdiff
|
tree
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