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Added pull potential flat-bottom-high
2014-01-21
Rolan
d
Schulz
Fix rac
e
conditions
commit
|
commitdiff
|
tree
2014-01-19
Roland
Schulz
Fix
that che
c
k_library
_
exist is r
e
run
f
or FFTW
commit
|
commitdiff
|
tree
2014-01-17
Rola
n
d Schulz
Define M
P
I_INT64_T
i
f
no
t
defined
b
y mpi
commit
|
commitdiff
|
tree
2014-01-15
Roland Schulz
Add nbnxn
tree force r
e
ductio
n
commit
|
commitdiff
|
tree
2014-01-09
Roland
S
chu
l
z
Merge relea
s
e
-4-6 into m
a
ster
commit
|
commitdiff
|
tree
2014-01-09
Roland Sch
u
lz
Add SIMD support for Intel MIC
commit
|
commitdiff
|
tree
2014-01-09
R
o
l
and Schulz
Rem
o
ve r
e
i
mplimentation of two fun
c
t
i
on
s
commit
|
commitdiff
|
tree
2014-01-09
Roland Schul
z
Remove
r
emai
n
ing usage
o
f SI
Z
E
O
F
*
commit
|
commitdiff
|
tree
2014-01-09
Roland S
c
hulz
Rem
o
ve som
e
usage of SIZ
E
OF*
commit
|
commitdiff
|
tree
2014-01-01
R
o
land Schu
l
z
M
e
rg
e
rel
e
ase-4-6 into
master
commit
|
commitdiff
|
tree
2013-12-24
R
o
land Schulz
Rename remaining large_i
n
t
to int64
commit
|
commitdiff
|
tree
2013-12-23
Rola
n
d Schulz
Re
p
l
ace gmx_
l
arge_in
t
_t with gmx_int64_t
commit
|
commitdiff
|
tree
2013-12-08
R
o
la
n
d Schulz
Avoid build error i
f
C
F
LA
G
S co
n
tain quotes
commit
|
commitdiff
|
tree
2013-12-02
Roland Schulz
Merg
e
"Merge
branch
'release-
4
-6'"
commit
|
commitdiff
|
tree
2013-12-02
Roland
Schulz
Replace
SUM_
S
IMD with gmx
_
su
m
_simd
commit
|
commitdiff
|
tree
2013-11-12
Roland S
c
h
ulz
Add
e
d rotation to t
h
e t
e
st
s
run by ctest
commit
|
commitdiff
|
tree
2013-10-30
Rolan
d
Schulz
Fix build
w
i
th GMX_CYCLE_SUBCOUNTERS
commit
|
commitdiff
|
tree
2013-10-30
Rolan
d
S
c
hul
z
Me
r
ge
r
elease-4-6 in
t
o mast
e
r
commit
|
commitdiff
|
tree
2013-10-26
R
ola
n
d Schulz
F
i
x
N
BNxN SIMD re
f
erence kernels
commit
|
commitdiff
|
tree
2013-10-18
Roland Schulz
Fix tMP
I
_Atom
i
c_memor
y
_barrier for
M
IC
commit
|
commitdiff
|
tree
2013-10-17
Roland
Sc
h
ulz
Fix SIMD C re
f
erence nbnxn ker
n
e
l
s
commit
|
commitdiff
|
tree
2013-07-24
Rolan
d
S
c
h
ulz
Me
r
ge "Merge branch
release-4-6 i
n
t
o
ma
s
t
e
r
"
commit
|
commitdiff
|
tree
2013-06-27
Roland S
c
hulz
Merge br
a
nch 'r
e
lease-4-6' into master
commit
|
commitdiff
|
tree
2013-06-27
Roland Schu
l
z
Merge branch 'release-
4
-6' i
n
to
master
commit
|
commitdiff
|
tree
2013-06-26
Roland Schulz
Remove hack
t
o support o
l
d ve
r
sion
tpr
v
e
rsion 80
commit
|
commitdiff
|
tree
2013-05-21
Roland Schulz
Merge release
-
4-6
int
o
master
commit
|
commitdiff
|
tree
2013-03-26
Roland Schulz
Merge release-4-5-pa
t
c
h
es into re
l
ease-4-6
commit
|
commitdiff
|
tree
2013-03-22
Roland Schulz
Fi
x
p
r
oble
m
s with int
e
l
-
m
p
i
commit
|
commitdiff
|
tree
2013-03-20
R
o
land Schulz
Merge
r
e
lease-4-6 into m
a
ster
commit
|
commitdiff
|
tree
2013-03-06
Roland Schulz
Merge "fixe
d
PME t
i
me print with -
n
t
o
mp_pme != -ntomp
.
.
.
commit
|
commitdiff
|
tree
2013-03-05
Rol
a
nd
Schulz
Fix
e
s
linkage with FFT
W
+ MKL for
B
LAS
/
LAPACK
commit
|
commitdiff
|
tree
2013-02-26
Roland Schu
l
z
M
erge release
-
4-6
i
nto master
commit
|
commitdiff
|
tree
2013-02-18
Roland Sc
h
u
l
z
Issue
errors/warnings for ICC
b
efore 12
.
0
.
0
commit
|
commitdiff
|
tree
2013-02-16
R
o
land
Schulz
Add mis
s
i
ng
include
commit
|
commitdiff
|
tree
2013-02-13
Roland Schu
l
z
Merge
"
Fixed the MPI recognition
s
t
r
i
ng in
g_tu
n
e
_
pme
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Roland Schu
l
z
M
e
r
ge "improv
e
se
t
up of multiple tf ta
b
les" i
n
to r
e
lease
-
4-6
commit
|
commitdiff
|
tree
2013-02-13
Roland Schul
z
Merge release-
4
-
6
into mast
e
r
commit
|
commitdiff
|
tree
2013-02-13
Rolan
d
Schulz
M
e
rge relea
s
e-4-6 into master
commit
|
commitdiff
|
tree
2013-02-13
Roland Schu
l
z
Code beautification with uncr
u
stify
commit
|
commitdiff
|
tree
2013-02-13
Rol
a
nd Schulz
Merg
e
"Updated FindGSL
.
cmake to versio
n
written by
.
.
.
commit
|
commitdiff
|
tree
2013-02-09
Rol
a
nd Sch
u
lz
Merg
e
"Ty
p
o fix" int
o
r
e
lease-
4
-6
commit
|
commitdiff
|
tree
2013-02-08
Roland
Schulz
Fi
x
C
UDA_HOST_COMPILER flag n
a
me
commit
|
commitdiff
|
tree
2013-02-08
Roland Sc
h
ulz
Remo
v
e
dupli
c
ated c
l
ang
section
commit
|
commitdiff
|
tree
2013-02-08
R
o
land Schulz
Rem
o
ve
dummy
.
cpp
commit
|
commitdiff
|
tree
2013-01-30
Roland Sch
u
lz
Fix gmx
c
heck target
commit
|
commitdiff
|
tree
2013-01-22
Roland Sch
u
lz
I
llegal acceleration defaulted to
QP
X
commit
|
commitdiff
|
tree
2013-01-22
Roland
S
chulz
F
ix TOUPPER
usage
commit
|
commitdiff
|
tree
2013-01-22
Roland Sc
h
ulz
Updated htm
l
man
u
a
l
to 4
.
6
commit
|
commitdiff
|
tree
2013-01-21
Ro
l
an
d
S
c
hulz
Merge rele
a
se-4-6 into master
commit
|
commitdiff
|
tree
2013-01-20
Roland Schulz
M
e
rge re
l
e
ase-4
-
6
into maste
r
commit
|
commitdiff
|
tree
2013-01-19
Ro
l
and
S
ch
u
lz
F
ix AVX double comp
i
le
er
r
or
commit
|
commitdiff
|
tree
2013-01-19
R
o
land Schul
z
A
dd fftpack to EXTRA_DIST
commit
|
commitdiff
|
tree
2013-01-19
R
o
land Schulz
Releas
e
4
.
5
.
6
commit
|
commitdiff
|
tree
2013-01-18
R
o
l
and Schulz
Merge release-
4
-5-pat
c
hes into re
l
ease-4-6
commit
|
commitdiff
|
tree
2013-01-18
Roland S
c
hulz
F
i
x
t
yp
o
commit
|
commitdiff
|
tree
2013-01-18
R
o
l
and Schu
l
z
Cod
e
beau
t
i
fication
w
ith uncru
s
tify
commit
|
commitdiff
|
tree
2013-01-18
Roland Schulz
Add colon after macro
to help uncru
s
tify
commit
|
commitdiff
|
tree
2013-01-18
Rola
n
d
Schulz
Fix
r
eading of
g
96 title
commit
|
commitdiff
|
tree
2013-01-17
Roland Schulz
Merge "Merge branch '
r
elease-4-5-patches' into
r
elea
s
e
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Rola
n
d
Sc
h
ul
z
Remove
u
nneces
s
ary ICC flags
affecting perfor
m
ance
commit
|
commitdiff
|
tree
2013-01-17
R
oland Schulz
M
erg
e
"clar
i
fy wording of GPU
driver
-
relat
e
d n
o
tes
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Sch
u
l
z
Merge "
A
dded check f
o
r valid wall_at
o
mty
p
e i
n
.
mdp
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland
Schulz
Run r
e
gressiontes
t
s from
b
uil
d
commit
|
commitdiff
|
tree
2013-01-17
R
o
land
S
chulz
Fix confusin
g
gmx_
h
eader
_
config
.
h
include
commit
|
commitdiff
|
tree
2013-01-16
R
oland Schulz
Don't cache
${FFTW}_HAVE_(SIMD|AVX)
commit
|
commitdiff
|
tree
2013-01-15
Roland Schulz
Merg
e
release-4-6 into master
commit
|
commitdiff
|
tree
2013-01-15
Ro
l
and
S
chul
z
F
i
x
m
issi
n
g replacement/typo
commit
|
commitdiff
|
tree
2013-01-13
Roland Schulz
Merge "Fixes for md-vv
and rerun" in
t
o release-4-6
commit
|
commitdiff
|
tree
2013-01-13
Roland Schulz
Merge "fixed resettin
g
stat
e
s
w
ith parallel Verlet
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Ro
l
an
d
Schulz
Proper fix
for copy
r
ite cuda depe
n
dence
commit
|
commitdiff
|
tree
2013-01-13
Roland Schulz
Merge "prepared the
n
bn
x
n cod
e
for non-x86 SIMD" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Roland Schulz
Merge "time the
GPU force clearing async launch o
v
erh
e
ad
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
R
oland
Schulz
Merg
e
r
e
lease
-
4-5-patches into r
e
lease-4-6
commit
|
commitdiff
|
tree
2013-01-11
Roland Schulz
Added miss
i
ng export
commit
|
commitdiff
|
tree
2013-01-11
Roland S
c
hulz
Me
r
ge "Handle compiler f
l
ags
m
o
re f
l
exi
b
ly" i
n
t
o release-4-6
commit
|
commitdiff
|
tree
2013-01-10
Rol
a
nd Schulz
R
emove
inc
o
rrect assert added b
y
05f9a740
commit
|
commitdiff
|
tree
2013-01-10
R
o
l
a
n
d
Schulz
Handle
c
o
mpiler flags more flexibly
commit
|
commitdiff
|
tree
2013-01-10
R
o
land
S
c
hulz
Merg
e
"Move
W
indows shared/static options
t
o la
t
er
.
.
.
commit
|
commitdiff
|
tree
2013-01-10
R
oland Schul
z
Merge
"Remove w
o
r
karound"
i
nto
release-4-
6
commit
|
commitdiff
|
tree
2013-01-10
R
oland Schulz
Mo
v
e Wind
o
ws shared/stat
i
c
o
pt
i
ons
t
o
l
ater point
commit
|
commitdiff
|
tree
2013-01-10
Roland Schul
z
Remove workaround
commit
|
commitdiff
|
tree
2013-01-09
Roland Schul
z
Merge "Added work-aro
u
nd for gcc bug
i
n AVX intrinsi
n
cs
.
.
.
commit
|
commitdiff
|
tree
2013-01-09
R
oland
Schulz
M
e
rge "Add c
h
eck to
r
emove zero Char
m
m
d
ihe
d
r
a
ls" i
n
t
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-09
R
o
lan
d
Schulz
Merge "[
t
ools] g_sans - add trajectory avereging" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-08
Roland Schulz
Merge
"
R
e
duce use of
m
o
n
olithic sets of compiler
flags
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Rol
a
nd Schulz
Me
r
ge "fix
e
d nbnxn AVX-256
E
wal
d
ta
b
le point
e
r alig
n
ment
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Roland Schulz
Merge "cmake: remove double-
n
egative quotes logic"
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Roland Schulz
Merge
"
Print
o
ut atom numbe
r
s in g_rmsf" into rel
e
a
s
e
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
R
o
land Schul
z
Fix
CUD
A
bei
n
g quiet and mark a
l
l CUDA_
*
as advanced
commit
|
commitdiff
|
tree
2013-01-07
Roland Sc
h
u
l
z
Merge "Ignore boo
l
cast warning for MSVC and
C
+
+
" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Roland Sch
u
lz
Me
r
ge "impro
v
ed re
p
o
r
t
i
ng of
failed aff
i
nity setting
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Ro
l
a
n
d
S
c
h
ulz
M
e
r
g
e "
F
ixed format
error in
o
nline ma
n
ual
.
" into re
l
ease-4-6
commit
|
commitdiff
|
tree
2013-01-07
Rol
a
nd Schulz
Merg
e
"Fi
x
ed
a
bug that wit
h
mu
l
tiple
e
xchanges" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Ro
l
and Schulz
Merge "Essential
dynamics: fi
x
ed restarts whe
n
ED
g
r
o
u
p
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Rol
a
nd Schulz
Merge "min
o
r speed-up and c
o
de
clean-u
p
in nbnxn kernels
.
.
.
commit
|
commitdiff
|
tree
2013-01-03
Roland Schulz
Merge "
F
i
x
ed
GMXRC
s
o we are not
p
o
l
luti
n
g stan
d
ard
.
.
.
commit
|
commitdiff
|
tree
2012-12-22
Roland Schulz
A
dd mi
s
si
n
g visibility exp
o
r
t
s
commit
|
commitdiff
|
tree
2012-12-21
R
oland
S
chulz
I
g
nore bool cast warni
n
g for
M
SVC and C++
commit
|
commitdiff
|
tree
2012-12-20
Roland Sc
h
ulz
Merg
e
release-4-6 into
master
commit
|
commitdiff
|
tree
2012-12-19
Roland
Schulz
Merge "Fix lic
e
nse te
x
t pr
i
nted by pr
o
grams
.
" into
.
.
.
commit
|
commitdiff
|
tree
next