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Fix specification for gcc-6
2017-06-28
Mark Abraham
Fix specificati
o
n
f
or g
c
c-6
commit
|
commitdiff
|
tree
2017-06-27
Ma
r
k
A
bra
h
am
Minor i
m
pr
o
vements to test configs
commit
|
commitdiff
|
tree
2017-05-30
Mark Ab
r
a
h
am
Fix NVML error
m
e
ssages
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraha
m
Test i
n
vsi
x
throot func
t
ion
a
s int
e
n
ded
commit
|
commitdiff
|
tree
2017-05-15
Mark Abrah
a
m
Updated use of gcc
-
5 specifiers
commit
|
commitdiff
|
tree
2017-05-09
Mark Abra
h
am
Fix formattin
g
o
f MKL cmake
d
oc
s
commit
|
commitdiff
|
tree
2017-04-17
Mark Abra
h
am
Pro
p
os
e
a p
o
st-su
b
mit matrix
commit
|
commitdiff
|
tree
2017-03-29
Mark Abr
a
ham
Fix parame
t
e
r
description for
d
ihedral_restr
a
ints
commit
|
commitdiff
|
tree
2017-03-22
Mark A
b
r
aham
Add section to
u
ser gui
d
e
for managi
n
g sim
u
lations
commit
|
commitdiff
|
tree
2017-03-19
Mark A
b
ra
h
am
Fix s
t
rin
g
hand
l
i
n
g
f
or gc
c
7
commit
|
commitdiff
|
tree
2017-03-14
M
ar
k
Abraham
Bumped versi
o
n
to prepare for nex
t
patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
bra
h
am
Ve
r
sion 2016
.
3
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
Fix minor issues
i
n
gmx traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fixes for xl compilers 13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-15
Mark
A
braham
Merge branch rele
a
se
-
5-1 into release-2016
commit
|
commitdiff
|
tree
2017-02-14
M
ark Abr
a
ham
Fix han
d
ling
o
f
p
re
v
ious
virials
commit
|
commitdiff
|
tree
2017-02-10
Mark
A
braham
C
orrect
e
d ou
t
p
ut o
f
gmx do_dssp -
s
c
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abraham
Remo
v
e docs
f
o
r unim
p
l
e
mented t
r
jconv
-
clustercen
t
e
r
commit
|
commitdiff
|
tree
2017-02-07
M
a
r
k
Abrah
a
m
Bum
p
ed v
e
rs
i
on
t
o prepare for next
p
atch rele
a
se
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introduced
system pr
e
paration section to user gu
i
de
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
braham
Version
2
016
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
a
rk Abraham
Merg
e
b
ranch relea
s
e-5-1
i
nto
r
elease-2016
commit
|
commitdiff
|
tree
2017-02-02
Mark
Abraham
C
l
a
r
ify us
e
of
tau-p and
p
c
o
upltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
M
e
rge branc
h
re
l
e
a
se-5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abr
a
ham
Fix multi-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark
Ab
r
aham
Don't print invalid perfor
m
ance data
commit
|
commitdiff
|
tree
2017-01-22
Mar
k
A
b
raham
Fixed g
m
x r
m
s
f
-q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Stop trying t
o
u
s
e objdump --reloc
on Mac
commit
|
commitdiff
|
tree
2017-01-03
M
ark Abraham
M
e
r
g
e
branch rele
a
s
e-5-1 int
o
rel
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-12-20
Mar
k
A
braham
C
o
rrected documentati
o
n a
b
out
e
igenvalue
h
andling
commit
|
commitdiff
|
tree
2016-12-20
Mark A
b
raham
I
mprove bu
i
ld s
y
stem for
p
lugin support
commit
|
commitdiff
|
tree
2016-12-15
Mark Abr
a
ha
m
H
a
nd
l
e warninp correctly
i
n xp
m
2ps
a
nd
membed
commit
|
commitdiff
|
tree
2016-12-14
Mark Ab
r
a
ham
Fix mi
s
le
a
ding parallelization doc
s
for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fix log
i
c of TRR reading
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix memory
h
andling in
g
mx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
Remove
und
u
e narrowing of i
n
teger in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
M
a
rk Abr
a
ham
Fix minor trjc
o
nv bug
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Bumped version to pr
e
p
are fo
r
next patch release
commit
|
commitdiff
|
tree
2016-10-28
Mark
Ab
r
aham
Version 201
6
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
a
rk Abraham
Update install guide
commit
|
commitdiff
|
tree
2016-10-18
Mark Abr
a
ham
Fix SIMD suggestion for VM
X
commit
|
commitdiff
|
tree
2016-10-11
M
a
rk
Abrah
a
m
Up
d
a
t
e fo
r
FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
M
a
r
k Abraham
A
d
d
script fo
r
Jenkins
r
egressiontest update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branc
h
release-5-1 i
n
to release-20
1
6
commit
|
commitdiff
|
tree
2016-10-03
Mark Abra
h
a
m
Replace use of
d
e
prec
a
t
e
d re
a
ddir_r
commit
|
commitdiff
|
tree
2016-09-08
M
a
rk Ab
r
aham
Merge branch
r
el
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark A
b
raham
Bu
m
ped patch number to prepa
r
e for
f
utur
e
5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
Versi
o
n 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
b
raham
Re
m
oved H
I
S1 from
oplsaa and charmm d
e
finitions
commit
|
commitdiff
|
tree
2016-09-07
M
ark Abr
a
ham
Fix
LYN charges in am
b
er03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix amber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
Mark
Ab
r
a
h
am
Work around glibc 2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-08-27
Mark Abr
a
ham
Stop u
s
ing gm
x
_
fat
a
l
in gro
m
p
p
commit
|
commitdiff
|
tree
2016-08-15
Mark
Abraham
F
ixes fo
r
BG/
Q
platform
f
iles
a
n
d
install guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abra
h
am
Bump
n
umber to pr
e
pare
f
or
f
irst patc
h
release
commit
|
commitdiff
|
tree
2016-08-04
Ma
r
k Abraham
Version 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark
Abraham
Imp
r
ove handling
of
g
mock and
gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark
A
bra
h
am
Merge branch release-5-1 into
release-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Abr
a
ham
Add toolcha
i
n flags for S
S
E2
compila
t
ion
commit
|
commitdiff
|
tree
2016-07-21
Mar
k
A
b
raham
B
u
m
p
ed patc
h
n
u
mber to
p
repare for future 5
.
1
.
4 rele
a
se
commit
|
commitdiff
|
tree
2016-07-14
Mark Abraham
Fix
i
s
su
e
s wi
t
h us
i
ng int for n
u
m
b
e
r of step
s
commit
|
commitdiff
|
tree
2016-07-13
Mark Abraha
m
Version 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Ma
r
k Abra
h
am
Fix trr m
a
gic
n
u
mb
e
r reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
F
ix gmx mdr
u
n
-membed
-ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abraham
Fix regressiontes
t
download
m
d
5
sum
commit
|
commitdiff
|
tree
2016-07-09
Mark Ab
r
aham
First 2016 release candidat
e
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
M
erge bran
c
h
r
elease-
5
-1 i
n
to
r
elease-
2
016
commit
|
commitdiff
|
tree
2016-07-08
Mar
k
Abraham
Simplify
SIMD compiler
flag
c
on
s
truction
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Move consistency check
for
number of thr
e
ads
commit
|
commitdiff
|
tree
2016-07-07
Mark Abraham
Fi
x
build if
libcud
a
is
found
but nvc
c
is n
o
t
commit
|
commitdiff
|
tree
2016-07-04
Mark Abra
h
am
Fixes for
P
ower
7
bi
g
-endia
n
commit
|
commitdiff
|
tree
2016-07-01
Mark Abr
a
h
am
F
i
x
u
s
e of _POSIX_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
Mark Abr
a
ham
Mer
g
e branch release-5
-
1 into
r
elease-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
R
e
factor sysconf ch
e
cking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
Work ar
o
und glibc 2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abra
h
am
Update to in
c
lude a gc
c
6
.
1 co
n
figu
r
ation
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
F
i
x S
I
MD configur
a
tion m
a
nage
m
en
t
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k
Abrah
a
m
R
e
moved u
n
nec
e
ssary in
t
er-simu
l
ation sign
a
lling
commit
|
commitdiff
|
tree
2016-06-27
Mark A
b
raham
Me
r
ge b
r
anch relea
s
e-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-23
M
a
rk Abraham
Allow
use of e
x
ternal lm
f
i
t
pac
k
ag
e
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
brah
a
m
Prevent
use of mdrun -ma
x
h -mul
t
i
commit
|
commitdiff
|
tree
2016-06-22
M
a
rk
A
br
a
ham
Fix c
o
n
figuration-t
i
me cpuinf
o
code
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Merge br
a
nch
r
el
e
ase-5-1 in
t
o r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Adjust and document C++11 c
o
mp
i
ler tests
commit
|
commitdiff
|
tree
2016-06-20
Ma
r
k Abraham
Update pre
-
submit
m
atrix contents
commit
|
commitdiff
|
tree
2016-06-19
Mark
Abraham
Improve do
c
s for li
n
king stdlibc+
+
needed b
y
icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Merge bran
c
h
rele
a
se-
5
-1
i
n
t
o release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mar
k
Abraham
F
ix
multi-sim + DD + simple distance restraints
commit
|
commitdiff
|
tree
2016-06-10
M
ark
A
braham
F
i
nd pyt
h
on for
doc
s
build q
u
ietly
commit
|
commitdiff
|
tree
2016-06-08
Mark
Abraham
Mer
g
e bra
n
ch
release-5-1 into
relea
s
e
-
201
6
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Re-
a
d
d
suppo
r
t for linking agai
n
s
t
ex
t
ern
a
l Tin
y
XML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Ab
r
aham
Updates to do
c
ument
a
tion
commit
|
commitdiff
|
tree
2016-06-02
Mark Ab
r
ah
a
m
F
ix compatibili
t
y
w
ith
older CMa
k
e
commit
|
commitdiff
|
tree
2016-06-02
Mark Ab
r
aham
Make more
C
Make variables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abr
a
ham
Ignore s
t
de
r
r when detecting
SIMD a
n
d
build
i
n
fo
commit
|
commitdiff
|
tree
2016-05-31
M
a
rk Abra
h
am
Fix
r
efere
n
c
e
to vmdio
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Second 2016 b
e
ta re
l
eas
e
commit
|
commitdiff
|
tree
2016-05-29
Ma
r
k A
b
raha
m
Simplified a
n
d updated Op
e
nC
L
compila
t
i
on
commit
|
commitdiff
|
tree
2016-05-27
Mark Abra
h
am
Fix re
a
ding of b
o
nded
t
ables
commit
|
commitdiff
|
tree
2016-05-26
M
a
r
k
Abrah
a
m
New quote
commit
|
commitdiff
|
tree
next