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Pull group count for coords stored in tpr
2015-09-30
Ro
l
and Schulz
Req
u
ire C++11
commit
|
commitdiff
|
tree
2015-09-30
Roland Schul
z
M
anually propa
g
ate CUDA host co
m
piler
flags
commit
|
commitdiff
|
tree
2015-09-27
Rolan
d
Sch
u
l
z
Co
n
v
e
rted 4xn k
e
r
n
el t
o
C++
commit
|
commitdiff
|
tree
2015-09-23
R
oland Schu
l
z
Bu
m
p required CUDA
versi
o
n
from 4
.
0+ to 5
.
0+
commit
|
commitdiff
|
tree
2015-08-15
Rola
n
d Schulz
Fi
x
C
l
a
n
g w
a
rnin
g
commit
|
commitdiff
|
tree
2015-08-07
Roland
Schulz
Fix VS20
1
5 warn
i
ng
commit
|
commitdiff
|
tree
2015-08-07
Roland Sch
u
lz
F
i
x missing includ
e
commit
|
commitdiff
|
tree
2015-08-06
Roland Schulz
R
e
place A
I
,
A
J,
.
.
and
C0
,
C1, C2 ma
c
ros with functions
commit
|
commitdiff
|
tree
2015-07-28
Roland
S
chulz
Converted 2xnn
ke
r
n
el to C++
commit
|
commitdiff
|
tree
2015-07-11
Roland
S
ch
u
lz
Update
k
er
n
el
t
emplates
t
o
m
a
tch kernels
commit
|
commitdiff
|
tree
2015-07-09
Roland Schulz
New quotes
commit
|
commitdiff
|
tree
2015-07-08
R
oland Schu
l
z
Me
r
ge
r
elease-5-1 into master
commit
|
commitdiff
|
tree
2015-07-08
R
o
land Sc
h
ulz
M
erge r
e
lease-5
-
0 into release-5-1
commit
|
commitdiff
|
tree
2015-07-08
Rol
a
nd Schulz
Mer
g
e release-4-6 into
releas
e
-5-0
commit
|
commitdiff
|
tree
2015-06-28
Roland Schulz
Remov
e
unus
e
d
c
m
ake file
s
commit
|
commitdiff
|
tree
2015-06-28
Roland Schulz
D
o
n
'
t u
s
e check_l
i
b
r
a
ry
fo
r
l
ibm
commit
|
commitdiff
|
tree
2015-06-25
Roland Schulz
Fix Wundef warnings
commit
|
commitdiff
|
tree
2015-06-22
Roland Schulz
Fix GMX_ALIGNMENT for M
S
VC 2012 and 201
3
commit
|
commitdiff
|
tree
2015-06-22
R
ol
a
nd Schulz
Fix cmak
e
3
.
1
w
arn
i
ngs wi
t
h MS
V
C
commit
|
commitdiff
|
tree
2015-06-19
Roland
Schul
z
F
ix miss
i
ng include
commit
|
commitdiff
|
tree
2015-06-16
Rola
n
d Schulz
Fix
war
n
ing in uncrustify
commit
|
commitdiff
|
tree
2015-06-16
Rola
n
d Schulz
F
i
x
consts in bonded and clincs
commit
|
commitdiff
|
tree
2015-06-06
Rolan
d
Schulz
Use stat t
o
check
t
hat
paths are equ
i
va
l
ent
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Merge release-5-0 into maste
r
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Reenab
l
e lincs/bonded S
I
MD for ICC on Wind
o
ws
commit
|
commitdiff
|
tree
2015-06-03
Ro
l
and Schulz
U
se stack buffer for LINCS&bonded gather/scatter
commit
|
commitdiff
|
tree
2015-05-30
Roland Sc
h
ulz
Wor
k
-
a
round
for ICC
15 on Phi
commit
|
commitdiff
|
tree
2015-05-26
Roland S
c
h
u
lz
Don't set CFLAGS
f
or Phi in toolchain
commit
|
commitdiff
|
tree
2015-05-13
Roland Schulz
Facilitate
linking of static bin
a
ries
commit
|
commitdiff
|
tree
2015-03-17
Rol
a
nd Schu
l
z
Fix li
n
kin
g
w
i
t
h
static
l
i
bx
m
l2
commit
|
commitdiff
|
tree
2015-03-04
Roland Schulz
Fix GCC5 warnings
commit
|
commitdiff
|
tree
2015-03-03
Rola
n
d
Schulz
nbn
x
n ut
i
ls performance improvement for Ph
i
commit
|
commitdiff
|
tree
2015-03-02
Roland
Sch
u
lz
Don't search installation prefix if
bi
n
a
r
y
is not found
commit
|
commitdiff
|
tree
2015-02-25
Rola
n
d
S
c
h
u
lz
C++ conversion for PME spread
/
gath
e
r
commit
|
commitdiff
|
tree
2015-02-12
Roland S
c
hulz
Merge rele
a
s
e-5-0 into maste
r
commit
|
commitdiff
|
tree
2015-02-12
Ro
l
and Schulz
Merge release
-
4
-6 int
o
release-5-
0
commit
|
commitdiff
|
tree
2015-02-10
R
oland Schulz
Do
n
't set
CFLA
G
S for
P
hi in toolc
h
ain
commit
|
commitdiff
|
tree
2015-02-10
Roland Schulz
Work-ar
o
und for I
C
C
15 on
P
h
i
commit
|
commitdiff
|
tree
2015-02-07
Roland Schu
l
z
M
a
ke Find
B
oost quite
commit
|
commitdiff
|
tree
2015-02-02
Rolan
d
Schulz
Fix
F
P exceptio
n
in FE
commit
|
commitdiff
|
tree
2015-01-27
Rol
a
nd Schulz
Workaround for MemorySanitizer
commit
|
commitdiff
|
tree
2015-01-27
Roland S
c
hul
z
Fix un
i
tlized mem
o
ry re
a
d
i
n checkpoin
t
commit
|
commitdiff
|
tree
2015-01-05
Roland Schulz
Ena
b
le fp-e
x
c
e
pti
o
ns
commit
|
commitdiff
|
tree
2014-12-18
Roland Sch
u
lz
Fix
C
M
P
0
054 cm
a
ke 3
.
1
.
0
w
a
r
nings
commit
|
commitdiff
|
tree
2014-12-17
Roland Sch
u
lz
Merge "Merge branch 'rel
e
ase-5-0'
"
commit
|
commitdiff
|
tree
2014-12-17
R
o
land Schul
z
Fix c
p
p
c
h
e
ck-1
.
6
7
warn
i
ngs
commit
|
commitdiff
|
tree
2014-12-15
Ro
l
and Schulz
Fi
x
NVML dete
c
t
ion on Win
d
ows
commit
|
commitdiff
|
tree
2014-12-13
Roland Schu
l
z
Use
b
itmask
f
or
b
onded
commit
|
commitdiff
|
tree
2014-12-07
R
o
land Schulz
Merge releas
e
-5-0 in
t
o master
commit
|
commitdiff
|
tree
2014-11-26
Roland
S
ch
u
lz
F
ix clang with boo
s
t 1
.
46
.
1
and 1
.
47
commit
|
commitdiff
|
tree
2014-11-26
R
o
land
Schulz
M
e
rge
release-5-0 into master
commit
|
commitdiff
|
tree
2014-11-23
Roland Schulz
Set GMX_
S
IMD
t
o
MIC
for
X
eon
Phi
commit
|
commitdiff
|
tree
2014-11-12
Roland Schulz
U
s
e stat
to che
c
k that
p
aths are e
q
u
ivale
n
t
commit
|
commitdiff
|
tree
2014-11-12
R
o
land Schulz
Add bitm
a
sk ty
p
e
commit
|
commitdiff
|
tree
2014-11-09
Ro
l
and Sch
u
lz
Backport valgrind
s
u
pp
r
ession
commit
|
commitdiff
|
tree
2014-11-09
Roland
Schul
z
Fix
CMP0
0
5
4
cmak
e
3
.
1
.
0 warn
i
ngs
commit
|
commitdiff
|
tree
2014-11-05
Roland Schulz
Minor update of boost READ
M
E
commit
|
commitdiff
|
tree
2014-10-30
R
oland Schulz
Mer
g
e "Merge r
e
l
ea
s
e-5-0 in
t
o master"
commit
|
commitdiff
|
tree
2014-10-26
Rola
n
d S
c
h
u
l
z
Add Windows support for
host-/
u
sername
commit
|
commitdiff
|
tree
2014-10-22
R
o
land Schulz
Remove Catamount cma
k
e
commit
|
commitdiff
|
tree
2014-10-21
R
oland
S
chulz
Fi
x
C++11 fla
g
s
for M
i
n
g
W
commit
|
commitdiff
|
tree
2014-10-20
R
oland Schulz
Create scoped_
c
ptr
t
o repla
c
e scoped_ptr_sfree
commit
|
commitdiff
|
tree
2014-10-20
Rola
n
d Schulz
Used
I
WYU to par
t
ially clean
u
p
s
o
m
e in
c
ludes
commit
|
commitdiff
|
tree
2014-10-12
Roland
Sc
h
ulz
F
ix miside
n
t
if
i
c
a
t
i
on of dot in path name
commit
|
commitdiff
|
tree
2014-10-05
Roland S
c
hulz
A
l
low
r
unAsMainSingleModule to
b
e called
m
ore than
.
.
.
commit
|
commitdiff
|
tree
2014-09-29
Roland Schulz
C
l
ari
f
y GCC+Win+AVX warning
commit
|
commitdiff
|
tree
2014-09-29
Rol
a
nd Schul
z
Merge r
e
lease-4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-09-23
Roland Schulz
F
i
x ICC w
a
rnings
commit
|
commitdiff
|
tree
2014-09-22
Ro
l
an
d
Schulz
Fix
m
essage abo
u
t incorrect u
s
age o
f
dih
e
dral type 9
commit
|
commitdiff
|
tree
2014-09-21
Rol
a
nd Schulz
Merge
r
elease
-
5
-0
into
m
aster
commit
|
commitdiff
|
tree
2014-09-20
Roland Schulz
Min
o
r per
f
ormance improme
n
ts
commit
|
commitdiff
|
tree
2014-09-18
R
o
la
n
d Schulz
Fix d
o
u
ble linkage f
o
r
tests
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Add missing quotes
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Fix s
h
ared
libs
f
or Mingw
commit
|
commitdiff
|
tree
2014-09-17
Rolan
d
Schu
l
z
Merge
release
-
5-0 into m
a
s
t
er
commit
|
commitdiff
|
tree
2014-09-17
Roland
Schulz
Remove
n
o-i
n
l
ine-max-
s
ize and suppre
s
s remark
commit
|
commitdiff
|
tree
2014-09-17
Rol
a
nd
S
chulz
Val
g
rind suppression for OS X 10
.
9
commit
|
commitdiff
|
tree
2014-09-16
Roland Schulz
Fi
x
w
arn
i
ngs
for
IC
C
15
commit
|
commitdiff
|
tree
2014-09-14
Roland Schulz
Rem
o
v
e
unnecessary cppchec
k
include-path
commit
|
commitdiff
|
tree
2014-09-11
R
oland Schulz
Fix sorting an
d
doxygen
commit
|
commitdiff
|
tree
2014-09-10
Ro
l
a
nd
Schulz
Merge release-5-0 into m
a
s
ter
commit
|
commitdiff
|
tree
2014-09-07
Rol
a
nd Schulz
Remov
e
some include order
depe
n
dencies
commit
|
commitdiff
|
tree
2014-09-07
Rola
n
d
S
chulz
Fix
b
uild
f
or
ext
e
rnal b
o
o
st 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-07
Rolan
d
Schulz
Simpli
f
y
AVX in
t
eger l
o
ad/store
commit
|
commitdiff
|
tree
2014-09-05
Roland Schulz
Fix build
f
o
r
extern
a
l boost 1
.
5
6
.
0
commit
|
commitdiff
|
tree
2014-09-05
R
o
land Schulz
Merge release-
5
-0 into
mast
e
r
commit
|
commitdiff
|
tree
2014-09-04
Roland Schulz
Ad
d
Mingw wa
r
ning
s
commit
|
commitdiff
|
tree
2014-09-04
Roland Schulz
Slight s
i
mplifc
a
tion of 2xnn
commit
|
commitdiff
|
tree
2014-09-03
Roland Schul
z
Merge
r
e
l
ea
s
e-5-0 into m
a
ste
r
commit
|
commitdiff
|
tree
2014-09-03
Roland S
c
h
ulz
F
i
x MingW
b
u
i
ld
commit
|
commitdiff
|
tree
2014-09-03
R
o
land Schulz
F
i
x
tha
t
TNG
tests were not
run
commit
|
commitdiff
|
tree
2014-09-02
Roland
Schulz
Fix PRINT_ALLOC_
K
B o
u
tput
commit
|
commitdiff
|
tree
2014-08-25
R
oland
S
chulz
Merge release-
5
-0 into master
commit
|
commitdiff
|
tree
2014-08-20
Roland
S
c
hulz
Cha
n
ge error to wa
r
ni
n
g
f
or mi
s
sing
O
MP_NUM_THREAD
S
commit
|
commitdiff
|
tree
2014-08-18
Roland Schulz
Fix nbnxn tem
p
lates
commit
|
commitdiff
|
tree
2014-08-18
Rol
a
nd Schulz
Add In
t
el
command line warning
commit
|
commitdiff
|
tree
2014-08-17
Roland Schul
z
Re
m
o
v
e check that auto-g
e
nerated f
i
les
ex
i
st
commit
|
commitdiff
|
tree
2014-08-17
Roland
S
chul
z
D
o
n't build
t
ests until the
y
are run
commit
|
commitdiff
|
tree
2014-08-17
Ro
l
and Schulz
Use full path for leg
a
cyheader
s
commit
|
commitdiff
|
tree
2014-08-16
Rola
n
d Schulz
Merg
e
rele
a
se-5-0
i
nto master
commit
|
commitdiff
|
tree
next