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Avoid segfault when comparing tpr
2014-03-05
Roland S
c
hulz
Avoid segfault when c
o
mpa
r
in
g
tpr
commit
|
commitdiff
|
tree
2014-02-26
Rola
n
d
Schul
z
R
e
move Cygw
i
n+MingW
from installguide
commit
|
commitdiff
|
tree
2014-02-26
Roland Schulz
ICC aliasing op
t
i
miz
a
tion flags
commit
|
commitdiff
|
tree
2014-02-26
Roland
Schu
l
z
U
s
e redu
c
e in pm
e
commit
|
commitdiff
|
tree
2014-02-26
Rol
a
n
d
S
chulz
R
eplace all m
d
run rngs with
cyc
l
e base
d
rn
g
commit
|
commitdiff
|
tree
2014-02-21
R
o
land Schulz
F
ix lo
a
d_lj_pair_params2 for MIC
commit
|
commitdiff
|
tree
2014-02-21
Rolan
d
Schulz
U
p
d
at
e
d Boo
s
t to latest 1
.
55
.
0
commit
|
commitdiff
|
tree
2014-02-21
Roland Sc
h
ulz
Mer
g
e "Mer
g
e
release-4-6 i
n
to master"
commit
|
commitdiff
|
tree
2014-02-21
Ro
l
a
nd Sc
h
ulz
M
e
rge rel
e
ase-4-6 into master
commit
|
commitdiff
|
tree
2014-02-20
Roland Sc
h
ulz
Fix ali
g
ne
d
sto
r
e to una
l
igned mem
o
r
y
commit
|
commitdiff
|
tree
2014-02-20
Roland Schulz
Fix
R
e
ference Build
commit
|
commitdiff
|
tree
2014-02-17
Ro
l
and Schu
l
z
Enable more wa
r
nings
commit
|
commitdiff
|
tree
2014-02-06
Roland S
c
hulz
Use
random seeds by default
commit
|
commitdiff
|
tree
2014-02-04
Roland Schul
z
Fix and simpl
i
fy rpa
t
h
commit
|
commitdiff
|
tree
2014-02-02
Roland S
c
hulz
M
e
rge
r
elease
-
4-6 int
o
m
aster
commit
|
commitdiff
|
tree
2014-01-30
R
oland Sc
h
ulz
A
dd cm
a
ke option for Re
f
e
rence
k
ern
e
l
commit
|
commitdiff
|
tree
2014-01-30
Roland
Schulz
Allocate memory for
M
D5 on heap
commit
|
commitdiff
|
tree
2014-01-29
Roland Sch
u
l
z
U
n
crustify all files
commit
|
commitdiff
|
tree
2014-01-21
R
o
l
and
S
chulz
Fix
r
a
c
e
c
onditions
commit
|
commitdiff
|
tree
2014-01-19
Roland Schulz
Fix that
c
heck_
l
ibrary_
e
xist is rerun fo
r
FFTW
commit
|
commitdiff
|
tree
2014-01-17
Roland
S
c
h
u
l
z
Define MPI_INT64
_
T if no
t
def
i
ned
b
y mpi
commit
|
commitdiff
|
tree
2014-01-15
Rola
n
d Sch
u
lz
A
dd nbnxn tree forc
e
r
e
duction
commit
|
commitdiff
|
tree
2014-01-09
Rol
a
nd Schulz
Merge
re
l
ease-
4
-6 into m
a
ster
commit
|
commitdiff
|
tree
2014-01-09
R
o
land Schulz
A
d
d SI
M
D support for
Intel MIC
commit
|
commitdiff
|
tree
2014-01-09
Roland Schulz
Remo
v
e rei
m
plimentation
o
f
two functions
commit
|
commitdiff
|
tree
2014-01-09
R
oland S
c
hulz
R
emove
r
emaining usage of S
I
ZE
O
F*
commit
|
commitdiff
|
tree
2014-01-09
Roland Schulz
R
e
mov
e
some usa
g
e of
S
IZEOF*
commit
|
commitdiff
|
tree
2014-01-01
Roland
S
chulz
Merge release-4
-
6 into master
commit
|
commitdiff
|
tree
2013-12-24
Roland Schulz
Rena
m
e remain
i
ng large_int to int64
commit
|
commitdiff
|
tree
2013-12-23
Ro
l
and
S
chulz
Replace gmx_large_int_t w
i
t
h
gmx_int64_t
commit
|
commitdiff
|
tree
2013-12-08
Roland S
c
hulz
Avoid build error if CFLAGS c
o
ntain quotes
commit
|
commitdiff
|
tree
2013-12-02
Roland Schulz
Mer
g
e "M
e
rge bran
c
h 'release-4-
6
'"
commit
|
commitdiff
|
tree
2013-12-02
R
oland Schulz
Re
p
lac
e
SUM_SIMD with gmx_sum_
s
imd
commit
|
commitdiff
|
tree
2013-11-12
Rola
n
d
Schulz
Added ro
t
ation to th
e
t
e
sts run by
c
test
commit
|
commitdiff
|
tree
2013-10-30
Ro
l
a
nd Schulz
Fix
b
uil
d
w
i
t
h
GMX_CYCLE_SUB
C
OUNTERS
commit
|
commitdiff
|
tree
2013-10-30
Rol
a
n
d Sc
h
u
lz
Merge release-4-6
i
nto master
commit
|
commitdiff
|
tree
2013-10-26
Rolan
d
Schulz
Fix NBNxN SIMD reference kernels
commit
|
commitdiff
|
tree
2013-10-18
Rol
a
nd Schulz
Fix
t
MPI_Atomic_memory_barr
i
er
f
or MIC
commit
|
commitdiff
|
tree
2013-10-17
Roland Schulz
Fix SIMD C ref
e
rence nbnxn kernel
s
commit
|
commitdiff
|
tree
2013-07-24
Roland Schulz
Me
r
ge
"Merg
e
bran
c
h release-4-6 i
n
to
m
a
s
ter"
commit
|
commitdiff
|
tree
2013-06-27
Roland Schulz
Merge branc
h
'r
e
lea
s
e
-
4
-6' into master
commit
|
commitdiff
|
tree
2013-06-27
Roland
S
chulz
Merge branch
'
r
elease-4
-
6' in
t
o ma
s
ter
commit
|
commitdiff
|
tree
2013-06-26
R
oland Schulz
Remove hack to support old ver
s
io
n
tpr versi
o
n 80
commit
|
commitdiff
|
tree
2013-05-21
Rolan
d
Schulz
Merge release-
4
-
6
into
maste
r
commit
|
commitdiff
|
tree
2013-03-26
R
oland Schulz
M
erge release-4-5-p
a
tc
h
e
s
i
n
to
r
elease
-
4-6
commit
|
commitdiff
|
tree
2013-03-22
Roland Schul
z
Fix problems w
i
th intel
-
mpi
commit
|
commitdiff
|
tree
2013-03-20
R
o
land Schulz
Merge releas
e
-4-6 into ma
s
t
er
commit
|
commitdiff
|
tree
2013-03-06
Rol
a
nd
S
chulz
Merge "fixed PME time print wi
t
h -ntomp_pme != -ntom
p
.
.
.
commit
|
commitdiff
|
tree
2013-03-05
R
o
l
and
S
chulz
F
i
x
e
s
linkage wit
h
F
F
T
W
+ M
K
L for BLAS
/
LAPACK
commit
|
commitdiff
|
tree
2013-02-26
Rola
n
d
S
chulz
Merg
e
release-4-
6
into master
commit
|
commitdiff
|
tree
2013-02-18
Roland
Sch
u
l
z
Issue e
r
rors/war
n
i
n
gs f
o
r ICC before 12
.
0
.
0
commit
|
commitdiff
|
tree
2013-02-16
Rolan
d
Schulz
A
d
d missing in
c
lude
commit
|
commitdiff
|
tree
2013-02-13
Rolan
d
S
c
hulz
Me
r
g
e "Fixed the MPI reco
g
nition
s
tring in
g
_tune_pme
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Rol
a
nd
Schulz
Merge
"
improve
s
et
u
p of multiple tf tab
l
es" into rel
e
ase-4
-
6
commit
|
commitdiff
|
tree
2013-02-13
Roland Schulz
Merge re
l
ea
s
e-4
-
6 into master
commit
|
commitdiff
|
tree
2013-02-13
Rol
a
nd
S
chulz
Merge release-4-6 into master
commit
|
commitdiff
|
tree
2013-02-13
Rolan
d
Schulz
Code beautification
w
i
th uncrustify
commit
|
commitdiff
|
tree
2013-02-13
Rola
n
d Schulz
Merge "Upd
a
te
d
FindGSL
.
cma
k
e to version written by
.
.
.
commit
|
commitdiff
|
tree
2013-02-09
Roland
Schulz
Merge "T
y
po fix"
i
nto release
-
4-6
commit
|
commitdiff
|
tree
2013-02-08
R
o
land Schu
l
z
Fix
CUDA_HOS
T
_CO
M
PILER flag name
commit
|
commitdiff
|
tree
2013-02-08
Roland Schulz
Remove du
p
licated clang section
commit
|
commitdiff
|
tree
2013-02-08
Roland Schulz
Remove
dummy
.
cpp
commit
|
commitdiff
|
tree
2013-01-30
Ro
l
and Schulz
Fix gmxcheck
t
arg
e
t
commit
|
commitdiff
|
tree
2013-01-22
R
oland S
c
hulz
Illegal
a
cceler
a
tion defaulted to QPX
commit
|
commitdiff
|
tree
2013-01-22
Roland Schulz
Fix T
O
UPPE
R
usage
commit
|
commitdiff
|
tree
2013-01-22
Rolan
d
Schulz
Updated
html manual to
4
.
6
commit
|
commitdiff
|
tree
2013-01-21
Rol
a
nd Schu
l
z
M
erge rele
a
se-4-6 into master
commit
|
commitdiff
|
tree
2013-01-20
Ro
l
an
d
Schulz
Merge release-4-6 into master
commit
|
commitdiff
|
tree
2013-01-19
Roland
Schulz
Fix AVX dou
b
le compile error
commit
|
commitdiff
|
tree
2013-01-19
Roland Schulz
Add fftpack to EXTRA_DIST
commit
|
commitdiff
|
tree
2013-01-19
Rol
a
nd
S
chulz
Re
l
ea
s
e 4
.
5
.
6
commit
|
commitdiff
|
tree
2013-01-18
Roland Sch
u
lz
Mer
g
e release-4
-
5
-patches into relea
s
e-4-6
commit
|
commitdiff
|
tree
2013-01-18
Rol
a
nd Schulz
Fi
x
t
y
po
commit
|
commitdiff
|
tree
2013-01-18
Roland Schulz
C
o
de beautif
i
cation
w
ith uncru
s
tify
commit
|
commitdiff
|
tree
2013-01-18
Rola
n
d Schulz
Add c
o
l
o
n afte
r
macro to help uncrustif
y
commit
|
commitdiff
|
tree
2013-01-18
R
o
l
a
nd
S
c
hu
l
z
F
ix r
e
ad
i
ng
of g96 title
commit
|
commitdiff
|
tree
2013-01-17
Roland Schulz
Merge
"M
e
rge branch 'releas
e
-4-5-pat
c
hes' into
r
elease
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Schulz
R
e
mo
v
e
u
n
n
e
c
e
ssary
ICC fla
g
s affecting performance
commit
|
commitdiff
|
tree
2013-01-17
Ro
l
and Schulz
Merge "c
l
a
rify wording
o
f
GPU driver-related
notes
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Sch
u
lz
Merge
"Added check for v
a
lid wal
l
_ato
m
t
y
pe in
.
mdp
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Roland Schu
l
z
Run regression
t
ests from
bu
i
ld
commit
|
commitdiff
|
tree
2013-01-17
Roland
S
chu
l
z
F
ix confusing gmx_heade
r
_co
n
fig
.
h in
c
lu
d
e
commit
|
commitdiff
|
tree
2013-01-16
Roland Sch
u
lz
Don't c
a
che ${FFTW}_H
A
VE_
(
SIMD|AVX)
commit
|
commitdiff
|
tree
2013-01-15
Ro
l
and Schu
l
z
Merge release-4-6
in
t
o master
commit
|
commitdiff
|
tree
2013-01-15
Roland Schulz
F
ix missing replace
m
e
nt
/
typo
commit
|
commitdiff
|
tree
2013-01-13
R
o
la
n
d Schulz
Merge "Fixes for md-vv an
d
rer
u
n" int
o
release-4-6
commit
|
commitdiff
|
tree
2013-01-13
R
olan
d
Schu
l
z
M
er
g
e "fixed
resetti
n
g states wi
t
h p
a
ralle
l
Verlet
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Roland S
c
h
u
lz
Proper fix for copyrit
e
cuda dependence
commit
|
commitdiff
|
tree
2013-01-13
R
o
lan
d
S
chulz
Me
r
ge "pr
e
p
a
red the nbnxn
c
ode for
n
on-x86
SIM
D
"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
R
o
la
n
d
S
chulz
Merge "time
t
he GPU
f
o
rce clearing async
l
au
n
ch overhea
d
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Roland Schulz
Merge release-4
-
5-pa
t
ches into r
e
le
a
se-4-6
commit
|
commitdiff
|
tree
2013-01-11
Roland Schul
z
Adde
d
miss
i
ng export
commit
|
commitdiff
|
tree
2013-01-11
Roland S
c
hulz
M
e
rge "Handle compile
r
flags more flexibly"
i
nto
release-4-6
commit
|
commitdiff
|
tree
2013-01-10
R
oland Sc
h
ulz
Rem
o
ve incorrect assert add
e
d
by 05f9a740
commit
|
commitdiff
|
tree
2013-01-10
Roland
S
ch
u
lz
Handl
e
c
ompil
e
r flags
more flexibl
y
commit
|
commitdiff
|
tree
2013-01-10
Rol
a
nd Schulz
Merge
"
Move W
i
ndows
s
hared/sta
t
ic
o
pti
o
n
s
to later
.
.
.
commit
|
commitdiff
|
tree
2013-01-10
Roland Schul
z
M
e
rg
e
"R
e
move
wo
r
karo
u
nd" int
o
release-4-6
commit
|
commitdiff
|
tree
2013-01-10
Rola
n
d
Schulz
Move W
i
ndows shared/
s
tatic op
t
ions to later point
commit
|
commitdiff
|
tree
2013-01-10
Roland Schulz
Re
m
ove worka
r
ound
commit
|
commitdiff
|
tree
2013-01-09
Rol
a
nd Schulz
M
erge "Added work-ar
o
u
nd fo
r
gc
c
bug
i
n
AVX intrinsin
c
s
.
.
.
commit
|
commitdiff
|
tree
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