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Partial conversion of gmx_domdec_t to C++
2016-04-06
R
oland Schulz
A
V
X512 transp
o
seScatterIn
c
r
/DecrU with load/sto
r
e
commit
|
commitdiff
|
tree
2016-04-02
Rola
n
d
S
c
hulz
Fix coolquotes
commit
|
commitdiff
|
tree
2016-03-11
Roland Schulz
Fix MPI_IN_P
L
ACE t
e
st
commit
|
commitdiff
|
tree
2016-03-10
Roland Schu
l
z
Im
p
rove AVX512
commit
|
commitdiff
|
tree
2015-12-27
Roland Schulz
Fi
x
G++ 4
.
7
.
0
commit
|
commitdiff
|
tree
2015-12-08
Roland Schulz
R
e
move
old MSVC referen
c
es
commit
|
commitdiff
|
tree
2015-09-30
Roland Schul
z
R
e
quire C++11
commit
|
commitdiff
|
tree
2015-09-30
Roland Schulz
Man
u
al
l
y propagate CUDA host c
o
mpil
e
r
f
l
ags
commit
|
commitdiff
|
tree
2015-09-27
Roland
Schulz
Converte
d
4xn kernel t
o
C++
commit
|
commitdiff
|
tree
2015-09-23
Roland S
c
hu
l
z
B
u
m
p
required CUD
A
versio
n
fr
o
m 4
.
0+
to 5
.
0
+
commit
|
commitdiff
|
tree
2015-08-15
Roland
S
chulz
Fix Clang war
n
i
n
g
commit
|
commitdiff
|
tree
2015-08-07
Roland Schulz
Fix VS2
0
1
5
warning
commit
|
commitdiff
|
tree
2015-08-07
Roland Sch
u
lz
Fix mis
s
ing include
commit
|
commitdiff
|
tree
2015-08-06
Roland Schulz
Re
p
lace AI, AJ,
.
.
and C0, C1
,
C2 macros with functions
commit
|
commitdiff
|
tree
2015-07-28
Roland Schulz
Converted 2x
n
n kernel
to C++
commit
|
commitdiff
|
tree
2015-07-11
Ro
l
and Sch
u
lz
Updat
e
k
er
n
el
te
m
plates to ma
t
ch
k
erne
l
s
commit
|
commitdiff
|
tree
2015-07-09
R
oland Schu
l
z
New
q
uote
s
commit
|
commitdiff
|
tree
2015-07-08
Roland
Schulz
M
e
rge re
l
eas
e
-5-1
i
nto master
commit
|
commitdiff
|
tree
2015-07-08
Roland
S
chulz
M
e
rge r
e
l
ease-
5
-
0
into release-5-
1
commit
|
commitdiff
|
tree
2015-07-08
R
o
lan
d
Schulz
M
e
rge
r
elease-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-28
Roland S
c
hulz
R
emove unused cmake fil
e
s
commit
|
commitdiff
|
tree
2015-06-28
Rol
a
nd Sch
u
l
z
Don't use
che
c
k_librar
y
for lib
m
commit
|
commitdiff
|
tree
2015-06-25
Rola
n
d
Schulz
Fix Wunde
f
war
n
i
n
gs
commit
|
commitdiff
|
tree
2015-06-22
Rolan
d
Schu
l
z
Fix GM
X
_ALIGNMENT for
M
S
VC
2
012 and 2013
commit
|
commitdiff
|
tree
2015-06-22
Roland Schu
l
z
F
i
x c
m
ake 3
.
1
warning
s
wi
t
h MSVC
commit
|
commitdiff
|
tree
2015-06-19
Rolan
d
Sch
u
lz
Fix m
i
ssing inc
l
ude
commit
|
commitdiff
|
tree
2015-06-16
Rola
n
d Schulz
F
ix warning
in
u
nc
r
ustify
commit
|
commitdiff
|
tree
2015-06-16
Roland Sch
u
lz
Fi
x
c
onsts
in bonded and clin
c
s
commit
|
commitdiff
|
tree
2015-06-06
Roland S
c
hul
z
U
s
e stat to check
that
p
at
h
s are equ
i
valent
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Merge release-5-0
i
nto maste
r
commit
|
commitdiff
|
tree
2015-06-05
Roland Schulz
Reen
a
ble lincs/bonded SIMD f
o
r ICC on Windows
commit
|
commitdiff
|
tree
2015-06-03
Rola
n
d Schulz
Use stack buffe
r
fo
r
LINCS&bonded
gather/scatter
commit
|
commitdiff
|
tree
2015-05-30
R
oland Schulz
Wo
r
k-around
f
or ICC 15 o
n
P
hi
commit
|
commitdiff
|
tree
2015-05-26
Roland Schulz
Do
n
'
t set CFLAGS for Phi i
n
toolch
a
in
commit
|
commitdiff
|
tree
2015-05-13
Rol
a
nd Schulz
Faci
l
itate lin
k
ing of st
a
tic binari
e
s
commit
|
commitdiff
|
tree
2015-03-17
Roland Schulz
Fix
l
inking with static libxml2
commit
|
commitdiff
|
tree
2015-03-04
R
o
land
S
chulz
F
ix GCC5 warnings
commit
|
commitdiff
|
tree
2015-03-03
Roland
S
c
h
u
l
z
nbnxn
u
tils perfo
r
mance improvement for Phi
commit
|
commitdiff
|
tree
2015-03-02
R
o
land
S
c
hulz
Don't search installa
t
ion prefix if binary is n
o
t fo
u
nd
commit
|
commitdiff
|
tree
2015-02-25
Roland Sc
h
ulz
C++ conver
s
io
n
for PME sprea
d
/gather
commit
|
commitdiff
|
tree
2015-02-12
Rol
a
nd
Schulz
M
e
r
ge relea
s
e
-5-0 into master
commit
|
commitdiff
|
tree
2015-02-12
R
o
land Schul
z
Merge release-4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2015-02-10
Ro
l
and
Schu
l
z
Don't
set CF
L
AGS for P
h
i in tool
c
hain
commit
|
commitdiff
|
tree
2015-02-10
Ro
l
and Schul
z
Work-around fo
r
ICC 15
o
n Phi
commit
|
commitdiff
|
tree
2015-02-07
Rola
n
d
Schulz
Make F
i
n
dBoost
q
uite
commit
|
commitdiff
|
tree
2015-02-02
Rola
n
d Schulz
Fix
FP exception in FE
commit
|
commitdiff
|
tree
2015-01-27
Rola
n
d
S
chulz
Workaround for MemorySanitizer
commit
|
commitdiff
|
tree
2015-01-27
R
o
l
and Schulz
Fi
x
uni
t
lized me
m
ory r
e
a
d in
checkpoint
commit
|
commitdiff
|
tree
2015-01-05
Rol
a
nd
Schulz
Enable fp-ex
c
eptions
commit
|
commitdiff
|
tree
2014-12-18
Roland Schulz
Fix CMP0054 cm
a
ke 3
.
1
.
0 w
a
rnings
commit
|
commitdiff
|
tree
2014-12-17
Rolan
d
Sc
h
u
l
z
Merge
"
Merge branch 'rele
a
s
e-5-0'
"
commit
|
commitdiff
|
tree
2014-12-17
Roland
Schulz
Fix
c
p
pcheck-1
.
67 war
n
in
g
s
commit
|
commitdiff
|
tree
2014-12-15
R
oland Schulz
F
ix NVML
d
etec
t
ion
on W
i
ndows
commit
|
commitdiff
|
tree
2014-12-13
Roland
S
chulz
Use bit
m
ask fo
r
bon
d
ed
commit
|
commitdiff
|
tree
2014-12-07
Roland
Schulz
Merge rel
e
ase-5
-
0
i
n
to master
commit
|
commitdiff
|
tree
2014-11-26
Roland Schulz
Fix c
l
ang with boo
s
t 1
.
4
6
.
1 a
n
d 1
.
47
commit
|
commitdiff
|
tree
2014-11-26
Rol
a
nd Schulz
M
e
rge release-5-0 into mas
t
e
r
commit
|
commitdiff
|
tree
2014-11-23
Roland Schul
z
S
e
t GMX_SIMD t
o
MIC for Xeon Phi
commit
|
commitdiff
|
tree
2014-11-12
Roland S
c
hu
l
z
Use
stat to
check tha
t
paths are equivalent
commit
|
commitdiff
|
tree
2014-11-12
R
ol
a
nd S
c
hulz
Add bitmask ty
p
e
commit
|
commitdiff
|
tree
2014-11-09
R
ola
n
d
S
chulz
Back
p
ort valgrind suppression
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
Fix CMP00
5
4 cmake 3
.
1
.
0 warni
n
gs
commit
|
commitdiff
|
tree
2014-11-05
R
o
land Sc
h
ulz
M
ino
r
u
p
date of boost README
commit
|
commitdiff
|
tree
2014-10-30
Rol
a
nd Schu
l
z
Mer
g
e "Merge rele
a
se-5-0
int
o
ma
s
ter"
commit
|
commitdiff
|
tree
2014-10-26
Rolan
d
S
c
hulz
Add Windows support for
hos
t
-
/
user
n
ame
commit
|
commitdiff
|
tree
2014-10-22
Roland
Schulz
Remove Catamo
u
nt cmake
commit
|
commitdiff
|
tree
2014-10-21
Roland
S
c
hu
l
z
Fix
C
++11 f
l
ags for Mi
n
g
W
commit
|
commitdiff
|
tree
2014-10-20
Ro
l
and Schu
l
z
Cr
e
ate scoped_
c
ptr to replace scoped
_
ptr_s
f
ree
commit
|
commitdiff
|
tree
2014-10-20
R
o
land Schu
l
z
Use
d
IWY
U
t
o par
t
i
a
l
ly
clean up
s
ome includes
commit
|
commitdiff
|
tree
2014-10-12
Roland Schulz
Fix miside
n
tification of d
o
t in path name
commit
|
commitdiff
|
tree
2014-10-05
Rol
a
nd Schul
z
Allow runAsMa
i
nSin
g
l
e
M
o
d
ule to
be called more than
.
.
.
commit
|
commitdiff
|
tree
2014-09-29
Roland Sc
h
ul
z
C
lari
f
y
G
CC
+
Wi
n
+AVX warning
commit
|
commitdiff
|
tree
2014-09-29
Ro
l
and Schulz
Merg
e
rele
a
s
e
-4-6 into rele
a
se-5-0
commit
|
commitdiff
|
tree
2014-09-23
Rola
n
d Sch
u
lz
Fix ICC w
a
r
nings
commit
|
commitdiff
|
tree
2014-09-22
Roland Schulz
Fix message ab
o
u
t
incor
r
ect usage of dihedral type
9
commit
|
commitdiff
|
tree
2014-09-21
Roland
Sc
h
ulz
Merge
r
elease-5-0 i
n
to maste
r
commit
|
commitdiff
|
tree
2014-09-20
Roland Schulz
Minor
p
er
f
ormance improments
commit
|
commitdiff
|
tree
2014-09-18
Roland
Schulz
F
i
x
double linkage for tests
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
A
d
d missing qu
o
t
e
s
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Fi
x
shared libs for Mingw
commit
|
commitdiff
|
tree
2014-09-17
R
o
land Schulz
Merge r
e
leas
e
-5-0 int
o
master
commit
|
commitdiff
|
tree
2014-09-17
Roland Schulz
Rem
o
ve no-i
n
line-max-size and
suppres
s
remark
commit
|
commitdiff
|
tree
2014-09-17
Rola
n
d Schulz
Valgrind
s
uppression f
o
r
OS X 10
.
9
commit
|
commitdiff
|
tree
2014-09-16
Ro
l
and Schul
z
F
i
x warn
i
n
g
s for
ICC 15
commit
|
commitdiff
|
tree
2014-09-14
R
o
l
and Sc
h
ulz
R
emove unnec
e
ss
a
ry
cpp
c
heck include-p
a
th
commit
|
commitdiff
|
tree
2014-09-11
Roland Schul
z
Fi
x
sor
t
in
g
and
d
oxy
g
en
commit
|
commitdiff
|
tree
2014-09-10
R
o
lan
d
S
c
hulz
M
e
rge release-5-
0
into master
commit
|
commitdiff
|
tree
2014-09-07
Roland Schulz
R
e
move
s
ome in
c
lud
e
orde
r
dependenc
i
es
commit
|
commitdiff
|
tree
2014-09-07
Rol
a
n
d
Schulz
Fix build for
e
x
ternal boost 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-07
Roland Schul
z
S
i
mplify AVX int
e
ger load/sto
r
e
commit
|
commitdiff
|
tree
2014-09-05
Roland Sch
u
lz
F
i
x bu
i
ld for external
boost 1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-05
Roland
Schulz
Merge release-5
-
0 into ma
s
ter
commit
|
commitdiff
|
tree
2014-09-04
R
o
land Schulz
A
d
d Mi
n
gw warnings
commit
|
commitdiff
|
tree
2014-09-04
Rolan
d
Schulz
Sli
g
ht s
i
mplifcation of 2
x
nn
commit
|
commitdiff
|
tree
2014-09-03
R
o
land Schulz
Merge release
-
5
-0 into
m
aster
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
Fix M
i
ngW build
commit
|
commitdiff
|
tree
2014-09-03
Roland Schulz
F
ix that
TNG tests were not run
commit
|
commitdiff
|
tree
2014-09-02
R
o
la
n
d Schul
z
F
ix
P
R
I
N
T
_ALLOC_KB
o
utpu
t
commit
|
commitdiff
|
tree
2014-08-25
R
oland Schulz
M
e
rge rele
a
s
e-5-0
into master
commit
|
commitdiff
|
tree
2014-08-20
Roland
S
chulz
Cha
n
g
e
error t
o
warning f
o
r
m
is
s
ing OMP_NU
M
_THREADS
commit
|
commitdiff
|
tree
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