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Preliminary clean up of NVML code
2016-08-27
R
o
land S
c
hu
l
z
Fix bu
i
ld with GMX_USE_TNG=off
commit
|
commitdiff
|
tree
2016-08-24
Roland Schu
l
z
Remove unne
c
essary ICC warn
i
ng suppressio
n
commit
|
commitdiff
|
tree
2016-07-30
Rola
n
d Schulz
Update
G
C
C
vers
i
o
n for refer
e
nc
e
build
commit
|
commitdiff
|
tree
2016-07-23
R
oland Schulz
Merge release-2016 into master
commit
|
commitdiff
|
tree
2016-07-18
Roland Schulz
Fix no
n
-parallel build
commit
|
commitdiff
|
tree
2016-06-02
Roland S
c
h
u
lz
Fix ICC 16u3 build
commit
|
commitdiff
|
tree
2016-05-28
Roland Schulz
F
ix build with clang 3
.
1+3
.
2
commit
|
commitdiff
|
tree
2016-05-17
Roland
Sc
h
u
l
z
Add re
f
erence to TopoT
o
ols 1
.
6
commit
|
commitdiff
|
tree
2016-05-13
Rola
n
d Schu
l
z
Don't use abo
r
t for
f
a
t
al er
r
o
rs
commit
|
commitdiff
|
tree
2016-05-10
Rola
n
d Schulz
Add OpenMP for functions limiting scaling
commit
|
commitdiff
|
tree
2016-04-28
Rola
n
d Schulz
Merge "M
e
rge
branch re
l
ease-5-
1
"
commit
|
commitdiff
|
tree
2016-04-26
Rola
n
d
Schulz
Fix numerically
unstabl
e
Gau
s
sian te
s
t
commit
|
commitdiff
|
tree
2016-04-19
R
ola
n
d Schulz
Fix numeric
a
l
l
y
unstab
l
e
selection t
e
st
commit
|
commitdiff
|
tree
2016-04-19
Roland
S
chulz
Tune nstli
s
t incre
a
se fo
r
KNL
commit
|
commitdiff
|
tree
2016-04-15
Roland Schulz
Fix AVX
5
12 s
u
ggestion
commit
|
commitdiff
|
tree
2016-04-15
Roland
S
c
hulz
Remove
i
diom
s
dep
r
ecated in C++11
commit
|
commitdiff
|
tree
2016-04-06
Roland Schulz
A
V
X512 tr
a
n
s
po
s
eScatterIncr/DecrU wit
h
load/sto
r
e
commit
|
commitdiff
|
tree
2016-04-02
Rol
a
nd Schulz
Fix
c
o
o
l
qu
o
tes
commit
|
commitdiff
|
tree
2016-03-11
Rol
a
nd Schu
l
z
Fix MPI
_
IN_PLACE te
s
t
commit
|
commitdiff
|
tree
2016-03-10
Rola
n
d
Schulz
Im
p
rove AVX512
commit
|
commitdiff
|
tree
2015-12-27
Rolan
d
S
c
h
ulz
Fix
G
++ 4
.
7
.
0
commit
|
commitdiff
|
tree
2015-12-08
R
oland
Schul
z
Remove old MSVC refe
r
e
nc
e
s
commit
|
commitdiff
|
tree
2015-09-30
R
oland
Schulz
Require
C++11
commit
|
commitdiff
|
tree
2015-09-30
Ro
l
and Sch
u
lz
Manually propagate CUDA host
c
ompiler flags
commit
|
commitdiff
|
tree
2015-09-27
R
oland Schulz
Con
v
erted 4x
n
ke
r
n
el t
o
C++
commit
|
commitdiff
|
tree
2015-09-23
Ro
l
and
S
chulz
Bump required
C
UDA versi
o
n
from 4
.
0+ to 5
.
0+
commit
|
commitdiff
|
tree
2015-08-15
Roland
Schulz
Fix Cla
n
g
w
arning
commit
|
commitdiff
|
tree
2015-08-07
Roland Schu
l
z
Fix VS
2
015 warning
commit
|
commitdiff
|
tree
2015-08-07
Roland S
c
hulz
Fix missi
n
g
i
nclude
commit
|
commitdiff
|
tree
2015-08-06
Roland Schulz
Replace AI, AJ,
.
.
and C0,
C
1, C2 macros w
i
t
h
functions
commit
|
commitdiff
|
tree
2015-07-28
Rolan
d
Schul
z
Converted 2xnn k
e
rnel to C++
commit
|
commitdiff
|
tree
2015-07-11
Roland Schulz
Update kernel templates
to match kern
e
ls
commit
|
commitdiff
|
tree
2015-07-09
Ro
l
and Schu
l
z
New
q
uot
e
s
commit
|
commitdiff
|
tree
2015-07-08
Roland Schulz
Merge release-5-1 in
t
o master
commit
|
commitdiff
|
tree
2015-07-08
Ro
l
and Sch
u
l
z
Me
r
ge relea
s
e
-
5-
0
into
r
elease-5-1
commit
|
commitdiff
|
tree
2015-07-08
Roland Sc
h
ulz
M
erge
r
e
l
ease-4-6 into release-
5
-0
commit
|
commitdiff
|
tree
2015-06-28
Roland
Schu
l
z
Remove unused cm
a
ke
f
iles
commit
|
commitdiff
|
tree
2015-06-28
Roland Schulz
Don't use
check_l
i
brary for libm
commit
|
commitdiff
|
tree
2015-06-25
Roland Schulz
Fix Wundef
w
a
rning
s
commit
|
commitdiff
|
tree
2015-06-22
Ro
l
and Schulz
Fix GM
X
_
A
L
IG
N
MENT for MSVC 2012 and 2
0
13
commit
|
commitdiff
|
tree
2015-06-22
Roland
S
chulz
Fix cm
a
ke
3
.
1 wa
r
ning
s
with MSV
C
commit
|
commitdiff
|
tree
2015-06-19
Rola
n
d Schulz
Fi
x
missin
g
include
commit
|
commitdiff
|
tree
2015-06-16
Rol
a
n
d
Schulz
Fix warni
n
g in uncrustify
commit
|
commitdiff
|
tree
2015-06-16
Roland Sch
u
lz
Fi
x
c
o
nsts in bonded and clincs
commit
|
commitdiff
|
tree
2015-06-06
Roland Schulz
Use stat to check that paths
a
re equivalen
t
commit
|
commitdiff
|
tree
2015-06-05
R
o
land Schulz
M
erge rele
a
se-
5
-0
i
nto master
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
R
e
e
n
a
b
l
e linc
s
/bonde
d
SIMD for ICC
on Windows
commit
|
commitdiff
|
tree
2015-06-03
R
o
land Schulz
U
s
e
st
a
ck buff
e
r f
o
r
L
I
N
C
S
&
b
o
nded gather/s
c
atter
commit
|
commitdiff
|
tree
2015-05-30
Rolan
d
Schulz
Work-aro
u
n
d for
ICC 1
5
o
n Phi
commit
|
commitdiff
|
tree
2015-05-26
Roland Schulz
Do
n
't s
e
t CFLAGS for Phi in to
o
l
chain
commit
|
commitdiff
|
tree
2015-05-13
R
o
lan
d
Schu
l
z
Fa
c
ilit
a
te linking of
s
tati
c
b
in
a
ries
commit
|
commitdiff
|
tree
2015-03-17
R
o
land Schu
l
z
Fix linking with
static libxml2
commit
|
commitdiff
|
tree
2015-03-04
Roland
Schulz
Fix
G
CC5 warnings
commit
|
commitdiff
|
tree
2015-03-03
Roland Schulz
nbnxn utils performance improvement fo
r
Phi
commit
|
commitdiff
|
tree
2015-03-02
R
o
l
a
nd Schulz
Don
'
t se
a
rc
h
instal
l
ation pr
e
fi
x
if
b
inary is
not found
commit
|
commitdiff
|
tree
2015-02-25
R
oland Schulz
C++ convers
i
on for P
M
E
s
pread/gather
commit
|
commitdiff
|
tree
2015-02-12
R
o
land Sc
h
u
l
z
Merge
release-5-0 into mast
e
r
commit
|
commitdiff
|
tree
2015-02-12
Roland
S
chu
l
z
Mer
g
e release-4-6 into rel
e
a
s
e-5-0
commit
|
commitdiff
|
tree
2015-02-10
Roland Schulz
Don't set CFLAGS
for Phi in too
l
chain
commit
|
commitdiff
|
tree
2015-02-10
R
o
lan
d
S
c
hulz
Wor
k
-around for ICC 15 on Phi
commit
|
commitdiff
|
tree
2015-02-07
Roland Sc
h
ulz
Make FindBoost quit
e
commit
|
commitdiff
|
tree
2015-02-02
Roland Schulz
Fix FP exception in
FE
commit
|
commitdiff
|
tree
2015-01-27
Roland S
c
hul
z
Workaround
f
or Mem
o
ryS
a
n
i
tizer
commit
|
commitdiff
|
tree
2015-01-27
R
o
land Schulz
Fix unitli
z
ed
m
emory read in checkpo
i
nt
commit
|
commitdiff
|
tree
2015-01-05
Rol
a
n
d
Schulz
Enable fp-exceptions
commit
|
commitdiff
|
tree
2014-12-18
Roland S
c
hulz
Fi
x
C
M
P0054 cmake 3
.
1
.
0 wa
r
n
i
ngs
commit
|
commitdiff
|
tree
2014-12-17
Roland
S
c
h
ulz
Merge "Merge branc
h
'release-5
-
0'"
commit
|
commitdiff
|
tree
2014-12-17
R
oland S
c
hulz
Fix cppche
c
k-1
.
67 warnings
commit
|
commitdiff
|
tree
2014-12-15
Ro
l
a
n
d
S
chu
l
z
Fix NVML detect
i
on on Windo
w
s
commit
|
commitdiff
|
tree
2014-12-13
Roland Schulz
U
s
e bitmask f
o
r
bonded
commit
|
commitdiff
|
tree
2014-12-07
Roland
Schulz
Merge re
l
e
as
e
-5-
0
into master
commit
|
commitdiff
|
tree
2014-11-26
R
o
land Sch
u
lz
Fix
c
l
a
ng with
b
o
ost 1
.
46
.
1 and 1
.
47
commit
|
commitdiff
|
tree
2014-11-26
Roland
S
chulz
Merge
release-
5
-
0 into m
a
ster
commit
|
commitdiff
|
tree
2014-11-23
R
o
land Sc
h
ulz
S
e
t GMX_SIMD
to MIC f
o
r Xe
o
n Phi
commit
|
commitdiff
|
tree
2014-11-12
Roland Schulz
Use stat to check that paths are equ
i
valent
commit
|
commitdiff
|
tree
2014-11-12
Rola
n
d S
c
h
u
lz
Add bit
m
a
s
k type
commit
|
commitdiff
|
tree
2014-11-09
Roland Schul
z
Back
p
ort valgrind suppress
i
on
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
Fix CMP0054 cmake 3
.
1
.
0 warnings
commit
|
commitdiff
|
tree
2014-11-05
Roland S
c
hulz
Minor
u
p
d
ate of boost R
E
ADM
E
commit
|
commitdiff
|
tree
2014-10-30
Ro
l
and Schulz
Merge "Merge
r
elease-5-0 into mast
e
r"
commit
|
commitdiff
|
tree
2014-10-26
Roland Schulz
Add
W
indows
su
p
port for host-/username
commit
|
commitdiff
|
tree
2014-10-22
Roland Schulz
Remove Catamount c
m
a
ke
commit
|
commitdiff
|
tree
2014-10-21
Roland Schulz
Fix C++11 flags
for
M
ingW
commit
|
commitdiff
|
tree
2014-10-20
Roland Schulz
Create scoped_cp
t
r
to replace scoped_p
t
r
_
sfree
commit
|
commitdiff
|
tree
2014-10-20
R
o
land Sch
u
l
z
U
sed
I
WYU t
o
partia
l
ly clean up some includes
commit
|
commitdiff
|
tree
2014-10-12
Roland Schu
l
z
Fix miside
n
tification of d
o
t in
p
ath name
commit
|
commitdiff
|
tree
2014-10-05
R
o
land Schulz
A
llow runAsM
a
i
n
SingleMo
d
u
le t
o
be called more
t
han
.
.
.
commit
|
commitdiff
|
tree
2014-09-29
Rol
a
nd Schul
z
C
l
ari
f
y GCC+
W
in+AVX war
n
ing
commit
|
commitdiff
|
tree
2014-09-29
Roland Schul
z
Merge release-4
-
6 i
n
to
release-
5
-0
commit
|
commitdiff
|
tree
2014-09-23
Rol
a
nd Schu
l
z
Fix
I
CC wa
r
nings
commit
|
commitdiff
|
tree
2014-09-22
Roland Schulz
Fix message about inco
r
rect usag
e
of dihedral ty
p
e 9
commit
|
commitdiff
|
tree
2014-09-21
Roland Schulz
Merge r
e
lease-5-0 into master
commit
|
commitdiff
|
tree
2014-09-20
Ro
l
and Schulz
Minor performan
c
e
i
mproments
commit
|
commitdiff
|
tree
2014-09-18
Roland
Schulz
Fix
double lin
k
age fo
r
tests
commit
|
commitdiff
|
tree
2014-09-17
Rola
n
d S
c
hulz
Add missi
n
g quo
t
es
commit
|
commitdiff
|
tree
2014-09-17
Rola
n
d
Schu
l
z
Fix s
h
ar
e
d lib
s
for M
i
ngw
commit
|
commitdiff
|
tree
2014-09-17
Roland Schu
l
z
Merge rel
e
ase-5-0 into master
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Rem
o
ve no-inl
i
ne
-
m
ax-size and supp
r
ess
r
emark
commit
|
commitdiff
|
tree
2014-09-17
Roland
Schulz
Valgrind suppres
s
ion
for O
S
X 10
.
9
commit
|
commitdiff
|
tree
2014-09-16
Roland Schulz
F
i
x
w
arnings for ICC 15
commit
|
commitdiff
|
tree
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