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Removed unused host-side allocation code
2017-08-06
Mark Abraham
Re
m
oved unused host-side
a
llocation code
commit
|
commitdiff
|
tree
2017-06-28
M
a
r
k
A
b
r
a
h
am
Fix specification for gcc-6
commit
|
commitdiff
|
tree
2017-06-27
M
ark Abraham
Minor i
m
pro
v
em
e
n
ts to test con
f
igs
commit
|
commitdiff
|
tree
2017-05-30
Ma
r
k Abraham
Fix
N
VM
L
e
rror messages
commit
|
commitdiff
|
tree
2017-05-26
Mark Abr
a
ham
Test invsixthroot function as
in
t
ended
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated us
e
of gcc
-
5 specifiers
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abraham
Fi
x
formatting of MKL
c
m
ake docs
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Propose a
post-submit matrix
commit
|
commitdiff
|
tree
2017-03-29
M
ark Abraham
F
i
x
paramete
r
description f
o
r dihedr
a
l
_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add section t
o
user
g
uide for
man
a
g
i
ng simu
l
at
i
ons
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
Fix stri
n
g h
a
ndling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abrah
a
m
Bu
m
ped version to prepare
f
or ne
x
t patch
release
commit
|
commitdiff
|
tree
2017-03-13
Mark A
b
raha
m
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
Fix min
o
r issue
s
i
n
gmx traj -
a
v -
a
f
commit
|
commitdiff
|
tree
2017-03-04
M
ar
k
A
b
ra
h
am
F
i
xes fo
r
xl compil
e
r
s 13
.
1
.
5
o
n Po
w
er8
commit
|
commitdiff
|
tree
2017-02-15
Mark Abra
h
am
Merge b
r
anch release-
5
-1 into r
e
lea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-14
Ma
r
k Abraham
Fix handling of
p
revious vir
i
als
commit
|
commitdiff
|
tree
2017-02-10
Mark Abr
a
ham
C
orrect
e
d
o
utpu
t
of gmx
do_ds
s
p
-sc
commit
|
commitdiff
|
tree
2017-02-08
M
ar
k
Abraha
m
Remove docs for unimpleme
n
ted trjconv -clust
e
rcen
t
er
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abraham
Bumped versi
o
n to p
r
epare fo
r
next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introduced
system preparatio
n
s
ection to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Version
2
016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merge bran
c
h relea
s
e-5-1 into re
l
e
ase-201
6
commit
|
commitdiff
|
tree
2017-02-02
Mark
Abraham
Clarify use of tau
-
p
a
nd pcouplt
y
p
e
commit
|
commitdiff
|
tree
2017-01-31
Mark
Abraham
Merge branch r
e
lease-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix multi-domain
r
eruns
commit
|
commitdiff
|
tree
2017-01-30
M
ark Abraham
Do
n
't print
i
nval
i
d perfo
r
mance data
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraha
m
Fix
e
d gmx
r
msf
-q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
M
a
rk Abraham
S
t
o
p
t
rying t
o
use objdu
m
p --r
e
loc on
M
ac
commit
|
commitdiff
|
tree
2017-01-03
Mark Abr
a
h
a
m
M
e
r
ge
branch release-5-1 int
o
relea
s
e-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abr
a
ham
Corrected documenta
t
ion about eigenv
a
l
u
e
h
andli
n
g
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
braha
m
Improve build sys
t
em for
p
lugin suppor
t
commit
|
commitdiff
|
tree
2016-12-15
Mark
A
braham
Handle
warninp
c
o
rrectly i
n
x
p
m2ps and membe
d
commit
|
commitdiff
|
tree
2016-12-14
M
a
rk
A
b
raham
Fix misleading
pa
r
alleli
z
at
i
o
n docs
for g
m
x wham
commit
|
commitdiff
|
tree
2016-12-09
Ma
r
k Abraham
Fix logic of
T
RR rea
d
ing
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraha
m
Fix m
e
mory handling in gmx
dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
M
ark Abrah
a
m
Remove undue narrowing of intege
r
in T
N
G
reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Fix minor trjconv
bu
g
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
raham
Bumped versio
n
to prepa
r
e for
n
e
x
t
patc
h
releas
e
commit
|
commitdiff
|
tree
2016-10-28
Mark Ab
r
aham
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update insta
l
l
guide
commit
|
commitdiff
|
tree
2016-10-18
M
ark
Abraham
Fix SIMD suggestion f
o
r VMX
commit
|
commitdiff
|
tree
2016-10-11
M
a
r
k A
b
r
a
ham
Upda
t
e for FFTW
3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraham
Add script for Jenkins r
e
gres
s
iontest update job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
braham
Mer
g
e bran
c
h rele
a
se
-
5-1 into rele
a
s
e-
2
016
commit
|
commitdiff
|
tree
2016-10-03
Mar
k
Abraham
Repl
a
ce use o
f
dep
r
e
c
ated readdir_r
commit
|
commitdiff
|
tree
2016-09-08
M
a
rk Abraham
M
e
rg
e
branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-09-08
M
a
rk Ab
r
aham
B
um
p
ed patch number to p
r
epare for
f
u
t
u
re 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Versi
o
n 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
br
a
ham
Remo
v
ed HIS1
f
r
om opls
a
a and char
m
m
de
f
initions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abr
a
ham
Fi
x
LYN
charges in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix
ambe
r
03 HIP
c
h
a
r
ges
commit
|
commitdiff
|
tree
2016-09-06
Mark Ab
r
aham
Work around g
l
ibc 2
.
23 with
C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
Mark
Ab
r
aham
Stop usi
n
g
gm
x
_fatal
i
n
grompp
commit
|
commitdiff
|
tree
2016-08-15
Mark Abr
a
h
a
m
Fixes
f
or BG/Q platform files and install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Ab
r
aham
B
u
m
p
numbe
r
to p
r
e
pa
r
e for
f
irst patch release
commit
|
commitdiff
|
tree
2016-08-04
Mar
k
Abraham
Ver
s
ion 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark
A
b
raham
Improve handl
i
ng of
g
m
oc
k
and
g
c
c6
commit
|
commitdiff
|
tree
2016-07-29
M
ark Abraham
M
e
r
g
e
b
r
anch
release-5-1 into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-07-28
Ma
r
k Abraham
Add too
l
chain flags f
o
r
SSE2
compilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abrah
a
m
Bumped patch
n
u
mber
to pre
p
are for future 5
.
1
.
4
r
elease
commit
|
commitdiff
|
tree
2016-07-14
M
a
rk
A
br
a
ham
F
i
x issue
s
with u
s
ing
i
nt for number of steps
commit
|
commitdiff
|
tree
2016-07-13
Mark Abraham
Versio
n
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abrah
a
m
Fix
trr magic number
r
e
a
ding
commit
|
commitdiff
|
tree
2016-07-11
Ma
r
k
Abraham
Fix gmx mdrun -membed
-
nt
m
pi
-1
commit
|
commitdiff
|
tree
2016-07-11
Mark
A
braham
Fix
regressiontest downlo
a
d
md5sum
commit
|
commitdiff
|
tree
2016-07-09
M
ark
A
brah
a
m
First 2016
release
candidat
e
commit
|
commitdiff
|
tree
2016-07-08
Mark
Abraham
M
er
g
e bra
n
ch r
e
lease-5
-
1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplify SIMD compiler f
l
ag
c
onst
r
uct
i
on
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraha
m
Move consistency
check
for number of threads
commit
|
commitdiff
|
tree
2016-07-07
Mar
k
Abraha
m
Fix build if libcuda is fo
u
nd but nvcc is no
t
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraham
Fixe
s
for Power7 big-end
i
a
n
commit
|
commitdiff
|
tree
2016-07-01
Mark Abra
h
am
Fix use of
_POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abr
a
ham
Merge branch release
-
5
-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-06-29
M
a
rk Abraham
R
e
factor sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Work aroun
d
g
l
ibc 2
.
23
w
ith CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update to includ
e
a gcc 6
.
1
c
on
f
i
gurati
o
n
commit
|
commitdiff
|
tree
2016-06-28
Mark Ab
r
aham
Fix SIMD confi
g
uration man
a
gement
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k Abraham
R
e
moved unn
e
cessary inter-sim
u
la
t
ion signalli
n
g
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
M
e
rge
branch r
e
leas
e
-5-1 into
r
elease
-
2
016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abr
a
ham
A
llo
w
us
e
of external
l
mfit packa
g
e
commit
|
commitdiff
|
tree
2016-06-23
Mark A
b
raham
Prevent u
s
e of m
d
r
un -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mar
k
A
braham
Fix
c
on
f
igu
r
at
i
on-ti
m
e cpuinfo code
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abraha
m
Merge
b
ranch release-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-06-22
Mark Abra
h
am
Ad
j
u
s
t and document C++11 compiler tests
commit
|
commitdiff
|
tree
2016-06-20
Ma
r
k Abraham
Up
d
ate pre-submit matri
x
conte
n
ts
commit
|
commitdiff
|
tree
2016-06-19
Mar
k
Abrah
a
m
Improve
d
o
cs fo
r
linking stdlibc++ needed by i
c
c
commit
|
commitdiff
|
tree
2016-06-17
M
ark A
b
raham
Merge branch releas
e
-5-1
into re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Fix multi-sim + DD + simple d
i
stance
r
estraints
commit
|
commitdiff
|
tree
2016-06-10
Mark A
b
r
a
ham
F
ind python f
o
r
docs build quietly
commit
|
commitdiff
|
tree
2016-06-08
Mar
k
Abraham
Merge bra
n
ch rele
a
s
e-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-07
M
a
rk Abraham
R
e
-add suppor
t
for linking a
g
ainst exte
r
nal T
i
nyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abra
h
am
Up
d
a
t
es to documentation
commit
|
commitdiff
|
tree
2016-06-02
M
a
rk Abra
h
a
m
Fix compatib
i
lity with older CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Make
m
ore CM
a
ke variables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Ab
r
a
h
a
m
Ignore s
t
d
err when detectin
g
SIMD and build info
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Fi
x
refere
n
c
e
to vmdi
o
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mar
k
Abr
a
ham
Se
c
o
nd 2016
b
eta releas
e
commit
|
commitdiff
|
tree
2016-05-29
Mark Abrah
a
m
Si
m
pl
i
fied and updated
O
penCL com
p
ilation
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraham
F
ix reading of b
o
nded tables
commit
|
commitdiff
|
tree
next