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Fix specification for gcc-6
2017-06-28
Mark
A
bra
h
am
Fix s
p
ec
i
fic
a
tion for gcc-
6
commit
|
commitdiff
|
tree
2017-06-27
M
a
rk Abraham
Minor
impr
o
veme
n
ts to test configs
commit
|
commitdiff
|
tree
2017-05-30
M
a
rk Abraham
Fix NVML e
r
ror messages
commit
|
commitdiff
|
tree
2017-05-26
M
ar
k
Abr
a
ham
Te
s
t
i
n
vsixth
r
oot functio
n
as
i
ntended
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk Abraham
U
p
dated use of gcc
-
5 specifiers
commit
|
commitdiff
|
tree
2017-05-09
M
ark Abrah
a
m
Fix format
t
ing of MKL cmake docs
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
P
rop
o
se a post-subm
i
t matrix
commit
|
commitdiff
|
tree
2017-03-29
Ma
r
k
A
braham
Fix param
e
ter
descr
i
p
tion
f
or di
h
ed
r
al_restra
i
nts
commit
|
commitdiff
|
tree
2017-03-22
Mar
k
Abraham
A
d
d se
c
t
i
on
t
o
user guide for managing si
m
u
l
ations
commit
|
commitdiff
|
tree
2017-03-19
Mark Abr
a
ham
F
i
x string handl
i
ng for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abra
h
am
Bu
m
p
ed
v
ersion to prepare for ne
x
t patch relea
s
e
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-07
Mark
Abraham
Fix minor issues in
gmx t
r
aj -av
-
af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fixes for xl co
m
pile
r
s
1
3
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-15
Mark A
b
ra
h
am
Merge bra
n
ch relea
s
e-5-1 into rel
e
ase-
2
016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Fix handli
n
g of previous
v
iri
a
ls
commit
|
commitdiff
|
tree
2017-02-10
M
a
r
k Ab
r
a
ham
Corrected outpu
t
of gmx do_dssp
-
sc
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
b
ra
h
am
Remove docs for unimplemented trjc
o
nv
-clustercenter
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Bumpe
d
versio
n
to
p
repare for ne
x
t p
a
t
ch
r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
M
ark
A
braham
Introduc
e
d
sy
s
t
e
m preparati
o
n se
c
tion to
u
ser g
u
id
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Ve
r
sion
2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Ma
r
k Abraha
m
Me
r
ge branch rel
e
a
se-5-1 in
t
o rele
a
se-2016
commit
|
commitdiff
|
tree
2017-02-02
Mark Abrah
a
m
Clarify
u
s
e
of tau-p an
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge branch rel
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix multi-d
o
main reru
n
s
commit
|
commitdiff
|
tree
2017-01-30
Mark
Abraham
Do
n
't prin
t
invalid per
f
ormanc
e
data
commit
|
commitdiff
|
tree
2017-01-22
Ma
r
k
Abraham
Fixed
g
mx rm
s
f -q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark Ab
r
aham
Stop
t
rying to use objdump --re
l
oc on M
a
c
commit
|
commitdiff
|
tree
2017-01-03
M
ark Abraham
M
e
rge branch release-5-1
i
nto rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abraham
C
orrected docum
e
ntation about eige
n
value h
a
n
d
l
ing
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Im
p
rove bu
i
ld system
for plugin suppo
r
t
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Handl
e
w
a
rninp correctly in
x
pm
2
ps
a
nd
m
embed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
F
i
x misleading
p
arall
e
l
izat
i
o
n
docs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
M
ark Abraham
Fix logic of TRR reading
commit
|
commitdiff
|
tree
2016-12-07
M
a
rk Abra
h
am
F
i
x m
e
mor
y
ha
n
dling in gmx dump of TNG f
i
les
commit
|
commitdiff
|
tree
2016-12-05
M
ark Abraham
Remove undue n
a
rrowing
o
f
integer in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Fix
m
inor trjconv bug
commit
|
commitdiff
|
tree
2016-10-28
M
a
r
k
A
bra
h
am
B
u
m
ped versi
o
n to prepare for nex
t
patch
release
commit
|
commitdiff
|
tree
2016-10-28
Mark
Abraham
Ver
s
ion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark A
b
ra
h
am
Updat
e
instal
l
gu
i
de
commit
|
commitdiff
|
tree
2016-10-18
Mark Abrah
a
m
Fix SIMD suggestion for VMX
commit
|
commitdiff
|
tree
2016-10-11
Mark Abrah
a
m
Updat
e
f
o
r FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Ma
r
k
A
braham
Add script for Jenkins regressiontest upd
a
te job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
bra
h
am
Merge b
r
anch rel
e
a
s
e
-
5-1 i
n
t
o release-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abr
a
ham
R
eplace use of dep
r
ecated readdir_r
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
braham
M
e
r
g
e
bra
n
ch rel
e
a
s
e-5-1 into r
e
lease
-
2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Bumped patch nu
m
ber to prepare
for future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
V
e
rsion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
braha
m
Remov
e
d
H
I
S
1 fro
m
op
l
saa and
charmm definitions
commit
|
commitdiff
|
tree
2016-09-07
Mark Ab
r
aham
F
i
x LYN charges in am
b
er03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abr
a
ham
Fix
a
m
b
er
0
3 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Ma
r
k Abraham
Work aro
u
nd glibc 2
.
23
wi
t
h CU
D
A
commit
|
commitdiff
|
tree
2016-08-27
Mark Abr
a
ham
S
top using gmx_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k Abraham
Fixes for BG/Q
p
latform fil
e
s
and install
guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump
n
umber to prepa
r
e
for f
i
rst
patch r
e
leas
e
commit
|
commitdiff
|
tree
2016-08-04
M
a
rk Abraham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark A
b
raham
Improve handling of gmo
c
k and
gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Ab
r
aham
Merge branc
h
release-5-1 into rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-07-28
M
ark
Ab
r
aham
Add tool
c
hain f
l
ags for SSE2 com
p
il
a
tion
commit
|
commitdiff
|
tree
2016-07-21
Ma
r
k Abraham
Bu
m
ped patc
h
number to pr
e
pare for futu
r
e 5
.
1
.
4 rele
a
se
commit
|
commitdiff
|
tree
2016-07-14
M
a
rk Abr
a
ham
Fix
issues wi
t
h using int
f
or
numbe
r
of st
e
ps
commit
|
commitdiff
|
tree
2016-07-13
Mark Abraham
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
a
rk Abrah
a
m
Fix trr
m
agic n
u
mb
e
r re
a
din
g
commit
|
commitdiff
|
tree
2016-07-11
Mark
Abraham
F
ix gmx md
r
un -membed -ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Ab
r
ah
a
m
Fix r
e
g
r
essiontest download md5su
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Abraham
F
i
rst
2016 release candi
d
at
e
commit
|
commitdiff
|
tree
2016-07-08
Mark
A
braham
Merge branc
h
release-5
-
1 into
release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
S
i
m
plify SIMD compiler fl
a
g
constru
c
tio
n
commit
|
commitdiff
|
tree
2016-07-07
Mark Abr
a
ham
Move co
n
sistency check
f
or number of threa
d
s
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Fix build if libcuda is
f
o
u
n
d but nvcc is n
o
t
commit
|
commitdiff
|
tree
2016-07-04
Mark Ab
r
aham
Fixes fo
r
Pow
e
r7 big-endian
commit
|
commitdiff
|
tree
2016-07-01
M
a
rk Abraham
F
i
x
us
e
o
f _POSIX_
T
H
READ*
commit
|
commitdiff
|
tree
2016-06-30
Ma
r
k Abra
h
a
m
Merge branch relea
s
e-5-1
into releas
e
-2016
commit
|
commitdiff
|
tree
2016-06-29
M
a
rk Abraham
Refactor sy
s
conf checking
commit
|
commitdiff
|
tree
2016-06-29
M
a
rk
A
braham
Work arou
n
d
glibc
2
.
2
3 w
i
th
C
UDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
Update to include a g
c
c 6
.
1 configura
t
i
on
commit
|
commitdiff
|
tree
2016-06-28
M
a
rk Abraham
Fix
S
I
MD con
f
igurat
i
o
n
management
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Removed unnecessary inte
r
-simul
a
tion signalling
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Merge branch release-
5
-
1
int
o
releas
e
-
201
6
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
braham
A
l
l
o
w u
s
e
o
f
external lmfit package
commit
|
commitdiff
|
tree
2016-06-23
Mark
Abraham
P
r
e
v
ent use
o
f md
r
un -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Fix configura
t
ion-ti
m
e cpuinfo co
d
e
commit
|
commitdiff
|
tree
2016-06-22
Mark
Abra
h
am
Merge b
r
anch release-5-
1
int
o
relea
s
e-2016
commit
|
commitdiff
|
tree
2016-06-22
Mar
k
Abraham
Ad
j
ust and
document C++11 compil
e
r
tes
t
s
commit
|
commitdiff
|
tree
2016-06-20
Mark Abraham
U
pdate pre-sub
m
i
t m
a
trix contents
commit
|
commitdiff
|
tree
2016-06-19
Ma
r
k A
b
ra
h
a
m
Improve
docs for linki
n
g stdlib
c
++ needed
b
y icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Merge
b
r
anch relea
s
e
-
5
-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark
A
braha
m
Fi
x
multi-sim +
D
D
+
simple
d
is
t
ance restraints
commit
|
commitdiff
|
tree
2016-06-10
Mar
k
Abraham
Find
python fo
r
docs build quie
t
ly
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
Merge
bra
n
ch release-5-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2016-06-07
M
a
rk
Abraham
Re-add
s
upport
f
or linking against externa
l
TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
U
p
dates to
d
o
c
umentation
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Fix compatibility
w
ith olde
r
CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraha
m
Make
m
ore CMake v
a
riables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ignore stde
r
r when
detecting S
I
M
D
and build info
commit
|
commitdiff
|
tree
2016-05-31
Mark A
b
raham
Fix refe
r
ence to vmdio
.
c to be
v
mdio
.
c
pp
commit
|
commitdiff
|
tree
2016-05-31
M
a
rk A
b
r
aham
Second 2016 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mar
k
A
b
r
a
ham
S
i
mplifie
d
and updated OpenCL co
m
pilation
commit
|
commitdiff
|
tree
2016-05-27
Mark Ab
r
a
ham
Fix
r
e
a
ding of bonde
d
t
a
b
l
es
commit
|
commitdiff
|
tree
2016-05-26
Mark A
b
raham
N
ew quote
commit
|
commitdiff
|
tree
next