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Introduced system preparation section to user guide
2017-02-07
Mark A
b
rah
a
m
Introduced sys
t
em preparation sectio
n
to user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraha
m
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merge branch release-
5
-1 int
o
releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-02
M
ark Abrah
a
m
Clarify us
e
of tau-p and pcou
p
ltype
commit
|
commitdiff
|
tree
2017-01-31
M
ark Abraham
Merge
br
a
nch re
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark
A
braha
m
Fi
x
mu
l
ti-d
o
main rer
u
ns
commit
|
commitdiff
|
tree
2017-01-30
Mar
k
Abr
a
h
am
Don't print inva
l
id
perform
a
nce data
commit
|
commitdiff
|
tree
2017-01-22
Mark
A
braham
Fixed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark
Abraham
Stop tryi
n
g t
o
use objdump --reloc on Mac
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Merge
b
ranc
h
release-5
-
1 into rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraha
m
Corrected docu
m
e
ntation abo
u
t eigenvalue
h
a
ndling
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abra
h
am
Im
p
rove build system
for plug
i
n
suppor
t
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Ha
n
dle warnin
p
corr
e
ctly in
x
pm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
Fix misleading p
a
r
alleli
z
at
i
o
n
docs for gmx
wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fix
logic of
T
RR reading
commit
|
commitdiff
|
tree
2016-12-07
Ma
r
k Abraham
Fix
memory handling in gmx
dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mar
k
A
b
r
a
ham
Remove
u
ndue nar
r
owing of
integ
e
r in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mark
Abraham
Fix minor trjcon
v
bug
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Bu
m
ped version to prepare for
next pat
c
h
r
e
lease
commit
|
commitdiff
|
tree
2016-10-28
Mar
k
Ab
r
aham
Ve
r
s
ion 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
ark
A
braham
Update install guide
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
Fix SIMD
sugg
e
stion for VMX
commit
|
commitdiff
|
tree
2016-10-11
Mark A
b
r
a
h
am
Updat
e
for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Mark
A
braham
Add script for Jenk
i
ns regressionte
s
t
u
pdate j
o
b
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge
b
r
a
n
ch
r
eleas
e
-5-1 into r
e
leas
e
-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abrah
a
m
Replace use of deprecated readdir_r
commit
|
commitdiff
|
tree
2016-09-08
Mark A
b
raham
Merge
b
ranch release-5-1
into releas
e
-2
0
1
6
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
B
um
p
ed patc
h
nu
m
b
er
t
o prepare fo
r
future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
Version 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Remo
v
ed
H
I
S1
fr
o
m oplsaa and charmm defini
t
ions
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
braham
Fix
L
YN charg
e
s in ambe
r
03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix a
m
ber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mark
A
braham
Wor
k
aro
u
nd glibc 2
.
23 wi
t
h CUDA
commit
|
commitdiff
|
tree
2016-08-27
Mark Abr
a
ham
Stop using gmx_fatal
i
n
grom
p
p
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k
A
braham
Fixes for BG/
Q
p
latform files
and ins
t
all guid
e
commit
|
commitdiff
|
tree
2016-08-12
Mark A
b
raham
Bump
n
umber to prepare f
o
r first
patch r
e
lease
commit
|
commitdiff
|
tree
2016-08-04
Ma
r
k Abraham
Version 2
0
16
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Improve handli
n
g of gm
o
ck and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark A
b
raham
Merge
b
r
a
nch
r
e
l
ea
s
e-
5
-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Abraham
Add tool
c
h
a
in flags for SSE2
c
om
p
ilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bumped patch number to prepare for
fu
t
ure 5
.
1
.
4 release
commit
|
commitdiff
|
tree
2016-07-14
Mar
k
A
br
a
ham
Fix issu
e
s with
u
sing int for nu
m
ber of steps
commit
|
commitdiff
|
tree
2016-07-13
Mark
Abraham
Version
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark
Abra
h
am
Fix trr magic
n
umber
reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix gmx mdrun -membed
-
n
t
mpi
-
1
commit
|
commitdiff
|
tree
2016-07-11
Mar
k
A
b
raha
m
F
i
x reg
r
essiontest download m
d
5sum
commit
|
commitdiff
|
tree
2016-07-09
M
a
rk
A
braham
First 2
0
16 release cand
i
d
ate
commit
|
commitdiff
|
tree
2016-07-08
M
ark
A
bra
h
am
Merge
b
r
anch relea
s
e-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2016-07-08
Mark
A
braham
Simpli
f
y S
I
MD c
o
mp
i
ler
flag construction
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move consistency check for number of threa
d
s
commit
|
commitdiff
|
tree
2016-07-07
Mark A
b
r
aham
Fix build
if
lib
c
uda is fou
n
d but nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abraha
m
Fixes for Power7
b
ig-e
n
dian
commit
|
commitdiff
|
tree
2016-07-01
Mark
Abraham
Fix
u
se
o
f _POSIX_THRE
A
D*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abr
a
ham
M
e
rge br
a
nch release
-
5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Refacto
r
sysc
o
nf c
h
ecking
commit
|
commitdiff
|
tree
2016-06-29
Ma
r
k
Abraham
W
o
rk ar
o
un
d
glibc 2
.
23 with CUD
A
commit
|
commitdiff
|
tree
2016-06-28
Mark
Abraham
Update to include a gc
c
6
.
1 configuration
commit
|
commitdiff
|
tree
2016-06-28
M
a
r
k
Abraham
Fix SI
M
D configurat
i
on managem
e
nt
commit
|
commitdiff
|
tree
2016-06-27
Mark Abr
a
ham
Removed unnecessary inter
-
simulat
i
on
s
ignalling
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Merge branch r
e
l
e
ase-5-1 into releas
e
-2016
commit
|
commitdiff
|
tree
2016-06-23
Ma
r
k
Abraham
Allo
w
use of exte
r
nal lmfit p
a
ckage
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Pr
e
vent use of mdrun -maxh -mult
i
commit
|
commitdiff
|
tree
2016-06-22
M
a
rk Abraham
Fix configu
r
ation-time cpuinfo
c
ode
commit
|
commitdiff
|
tree
2016-06-22
Mark A
b
raham
M
erge
b
ran
c
h
release-5-1
i
n
t
o
releas
e
-2016
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abr
a
h
am
Adjust and document C++
1
1 compiler tests
commit
|
commitdiff
|
tree
2016-06-20
M
a
r
k A
b
raham
U
pdate pre
-
submi
t
ma
t
rix contents
commit
|
commitdiff
|
tree
2016-06-19
Mar
k
Abraham
Improve d
o
cs for linking stdlibc++ needed b
y
ic
c
commit
|
commitdiff
|
tree
2016-06-17
M
a
rk Abraham
M
e
rge
b
ra
n
ch release-5-1
into re
l
ease-
2
016
commit
|
commitdiff
|
tree
2016-06-17
M
ar
k
Abrah
a
m
F
ix multi-sim + DD + simple
distance restraints
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find python for
docs build quietly
commit
|
commitdiff
|
tree
2016-06-08
M
a
rk Abraham
Merge
branch
r
elease-5-1 into rel
e
a
se-
2
016
commit
|
commitdiff
|
tree
2016-06-07
Mark
A
braham
Re-add supp
o
rt fo
r
li
n
king against external Ti
n
yX
M
L-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Updates to
d
o
cumentat
i
o
n
commit
|
commitdiff
|
tree
2016-06-02
Mark Ab
r
aham
Fix
c
om
p
at
i
bility with
o
lde
r
C
M
ake
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k Abraham
Make more CMake var
i
ab
l
es adv
a
nced
commit
|
commitdiff
|
tree
2016-06-02
Mark A
b
raha
m
I
g
n
ore
s
tde
r
r wh
e
n detecting SI
M
D an
d
build info
commit
|
commitdiff
|
tree
2016-05-31
Mark A
b
raham
Fix re
f
ere
n
ce to vmdio
.
c to
be v
m
dio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Secon
d
20
1
6 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
Simp
l
i
fied and updated OpenCL c
o
mpila
t
ion
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraham
F
i
x readin
g
of bonded ta
b
les
commit
|
commitdiff
|
tree
2016-05-26
Mark
Abraham
New quote
commit
|
commitdiff
|
tree
2016-05-12
Mark
Abraham
Merge
b
r
anc
h
rel
e
ase-5
-
1 into
re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2016-05-12
M
ark Ab
r
aha
m
G
R
OMACS 2016 bet
a
1 rel
e
ase
commit
|
commitdiff
|
tree
2016-05-10
Mark
Abraham
Bump
clang sta
t
ic
a
n
alyzer to version
3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraha
m
Mi
n
or
update to sp
h
inx dependency
commit
|
commitdiff
|
tree
2016-05-10
Mark Abra
h
am
Facilitate linking
wit
h
li
b
cxx
commit
|
commitdiff
|
tree
2016-05-08
M
a
rk Abraham
Fixes for clang 3
.
7 on Powe
r
PC
commit
|
commitdiff
|
tree
2016-05-08
M
a
rk Abraham
Fix constants, uni
t
s
a
n
d conversion factors
commit
|
commitdiff
|
tree
2016-04-27
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Rep
l
ace lib
x
ml2
with
t
inyxml2 for us
e
in test code
commit
|
commitdiff
|
tree
2016-04-19
Ma
r
k
Abraham
F
ix pars
e
_d
i
gits_from_string
commit
|
commitdiff
|
tree
2016-04-19
M
ark
Abraham
Fix
m
dp la
b
e
l
generation
commit
|
commitdiff
|
tree
2016-04-18
Mark
Abr
a
ham
Reduce
compilat
i
on
c
o
u
p
ling of SI
M
D module
commit
|
commitdiff
|
tree
2016-04-14
M
ark Ab
r
aham
Merge branch r
e
lease-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mark A
b
raham
Revert to treating -1 as "genera
t
e a
s
eed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mark Abraham
Add test
and
imp
r
oved do
c
s for custom checkSequence
commit
|
commitdiff
|
tree
2016-03-30
Mark Abraham
C
l
ean up vsite code
commit
|
commitdiff
|
tree
2016-03-19
Mar
k
Abraham
Add more c
o
ns
t
c
orrectness
commit
|
commitdiff
|
tree
2016-03-19
Ma
r
k Abraham
Fix warn
i
ng from GCC
6
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Im
p
r
ove
d
some mdrun inte
g
ration
tes
t
s
commit
|
commitdiff
|
tree
next