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Fixes for Solaris
2017-09-05
Mark Abraham
F
ixes
fo
r
Sol
a
ris
commit
|
commitdiff
|
tree
2017-09-03
M
a
rk Abra
h
am
Fix compiler flags for usin
g
MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark
Abraham
Merg
e
b
r
a
n
ch release
-
5-1 into release
-
201
6
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraham
Fix flat-botto
m
ed
position restraints wi
t
h multipl
e
.
.
.
commit
|
commitdiff
|
tree
2017-08-21
Mark A
b
raham
Fix compilation issues with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
braham
Merge b
r
anch releas
e
-
5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Fix valu
e
of Ewald shift
commit
|
commitdiff
|
tree
2017-08-06
Mark Ab
r
aha
m
Rem
o
ve
d
unused host
-
sid
e
alloca
t
i
o
n code
commit
|
commitdiff
|
tree
2017-06-28
Ma
r
k Abraha
m
Fix specif
i
c
ation for gcc-6
commit
|
commitdiff
|
tree
2017-06-27
Ma
r
k
Abraham
Minor imp
r
ovements to
t
e
s
t
config
s
commit
|
commitdiff
|
tree
2017-05-30
Mark A
b
rah
a
m
Fix NVML error messages
commit
|
commitdiff
|
tree
2017-05-26
Ma
r
k Abraham
Test invs
i
xthroot function as inte
n
d
ed
commit
|
commitdiff
|
tree
2017-05-15
Mark Abrah
a
m
Updated use of gc
c
-5 specifiers
commit
|
commitdiff
|
tree
2017-05-09
Mark
A
b
r
aham
Fix
fo
r
matting of
M
KL cma
k
e
docs
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
P
r
opose a post-submit matrix
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix parame
t
er descr
i
ption f
o
r dihed
r
a
l
_restraint
s
commit
|
commitdiff
|
tree
2017-03-22
Mark A
b
raham
Add section to user guide for
man
a
ging s
i
mulat
i
ons
commit
|
commitdiff
|
tree
2017-03-19
Mark Abra
h
am
F
i
x string handling
f
or gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark
A
b
r
aham
Bumped version t
o
p
repare for next patch release
commit
|
commitdiff
|
tree
2017-03-13
M
a
rk Abraham
Version 2
0
16
.
3
commit
|
commitdiff
|
tree
2017-03-07
M
a
rk Abraham
Fix min
o
r i
s
s
ues in gmx
t
raj -av
-af
commit
|
commitdiff
|
tree
2017-03-04
Mark A
b
raham
Fixes for xl compilers 13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-15
Ma
r
k
Abraham
Me
r
ge branch
release-5-1
i
nto
rel
e
as
e
-
2
016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abrah
a
m
Fi
x
h
a
ndling
o
f previous viri
a
ls
commit
|
commitdiff
|
tree
2017-02-10
Mark
A
braham
Correcte
d
output
of gmx do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
Remov
e
do
c
s
f
o
r
uni
m
plemented
trj
c
onv -clustercen
t
er
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
Bum
p
ed version to pr
e
p
are
f
or n
e
xt
patch release
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
I
ntroduced sy
s
tem pre
p
a
r
ati
o
n section to user gui
d
e
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abraham
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark
Abra
h
am
Merge branch rele
a
se-5-1
into release-
2
016
commit
|
commitdiff
|
tree
2017-02-02
Mark Abrah
a
m
C
l
arify
u
s
e
of
t
au-p an
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge
b
ranch release-5-
1
in
t
o releas
e
-20
1
6
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix multi-d
o
mai
n
reruns
commit
|
commitdiff
|
tree
2017-01-30
Mar
k
Abraham
Don't print in
v
a
lid
perfo
r
manc
e
data
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed gmx rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
S
t
op tr
y
in
g
to use objdump
--reloc on Mac
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Merge b
r
anch
r
elease-
5
-1 into
r
eleas
e
-2016
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk
Abraham
Cor
r
e
cted
docume
n
tation abo
u
t
eigenvalue handling
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abrah
a
m
I
m
prove bu
i
l
d
sy
s
tem f
o
r plugin sup
p
o
rt
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k A
b
r
ah
a
m
Han
d
le warninp correctly i
n
xpm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
Mar
k
Abraham
Fix misl
e
ading parallelization do
c
s
for
g
m
x wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Fix logic
of T
R
R reading
commit
|
commitdiff
|
tree
2016-12-07
Ma
r
k
Ab
r
aham
F
ix m
e
mor
y
handling
in gm
x
dum
p
o
f
TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark A
b
raham
Remove
undue narrowing of integer in TNG
r
eadin
g
commit
|
commitdiff
|
tree
2016-12-01
M
a
r
k Abraham
Fix minor trjc
o
nv bug
commit
|
commitdiff
|
tree
2016-10-28
Ma
r
k Ab
r
aham
Bumped version to prepare for next patch release
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
rah
a
m
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark
Ab
r
aham
Upda
t
e i
n
stall guid
e
commit
|
commitdiff
|
tree
2016-10-18
Mark Abra
h
am
Fix SIMD suggestion f
o
r VMX
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraham
Updat
e
for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-07
Mark Ab
r
aham
Add script for Jenkins reg
r
essi
o
nt
e
st update job
commit
|
commitdiff
|
tree
2016-10-03
M
a
rk Abraham
Me
r
ge branch release
-
5-
1
into release-2016
commit
|
commitdiff
|
tree
2016-10-03
M
a
rk Abraham
Replac
e
use of depre
c
a
t
ed readdir_r
commit
|
commitdiff
|
tree
2016-09-08
Mark Abra
h
am
Merge branch rele
a
se-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark
A
braham
B
u
mped
p
atch nu
m
ber to prepare f
o
r fut
u
r
e
5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Ab
r
aham
Ver
s
ion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k Abraham
Remov
e
d
H
IS1 fro
m
oplsaa and charmm d
e
f
initions
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix L
Y
N charges in a
m
b
er03
commit
|
commitdiff
|
tree
2016-09-07
Mark A
b
raham
F
ix amber
0
3 HIP char
g
es
commit
|
commitdiff
|
tree
2016-09-06
Mark Abr
a
ham
Work around glibc 2
.
23 with C
U
DA
commit
|
commitdiff
|
tree
2016-08-27
Mark Abra
h
a
m
Stop u
s
i
n
g
g
mx_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-15
Mark
A
braham
Fixes
for BG/Q
pla
t
f
orm
fil
e
s and install g
u
ide
commit
|
commitdiff
|
tree
2016-08-12
Mark A
b
raham
B
u
mp nu
m
ber to pr
e
pare for first patch releas
e
commit
|
commitdiff
|
tree
2016-08-04
Mar
k
A
bra
h
a
m
V
ersion 2016
commit
|
commitdiff
|
tree
2016-07-29
Mar
k
A
b
r
a
h
am
Im
p
r
o
ve ha
n
d
l
ing o
f
gmock a
n
d gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
M
e
rge bra
n
c
h release-5-1
i
nto r
e
lease-2016
commit
|
commitdiff
|
tree
2016-07-28
Mark Abr
a
ham
A
dd
t
oolcha
i
n
flag
s
for SSE2 c
o
mpilation
commit
|
commitdiff
|
tree
2016-07-21
Mark Abraham
Bumped patch number to prepar
e
for future 5
.
1
.
4 rele
a
s
e
commit
|
commitdiff
|
tree
2016-07-14
M
a
rk
Abraham
Fix issues
with using i
n
t fo
r
number of s
t
ep
s
commit
|
commitdiff
|
tree
2016-07-13
Mark
Ab
r
a
ham
Versio
n
5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Fix t
r
r magic number re
a
ding
commit
|
commitdiff
|
tree
2016-07-11
Mark Abra
h
am
F
ix gmx mdr
u
n -memb
e
d -ntmpi
-1
commit
|
commitdiff
|
tree
2016-07-11
M
a
rk Abrah
a
m
F
i
x r
e
gressio
n
test download md5sum
commit
|
commitdiff
|
tree
2016-07-09
Mark A
b
raham
Fir
s
t 2016 rele
a
se can
d
id
a
te
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Me
r
ge branch releas
e
-5-1 into rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-07-08
M
a
r
k Abraha
m
Simplify SIMD compil
e
r flag construction
commit
|
commitdiff
|
tree
2016-07-07
M
ark A
b
raham
Move consi
s
t
ency check for num
b
e
r of th
r
eads
commit
|
commitdiff
|
tree
2016-07-07
Mark
Abr
a
ham
Fix bu
i
l
d if
libcuda i
s
found
but nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mark Abr
a
ham
F
ixes for Po
w
er7 big-endian
commit
|
commitdiff
|
tree
2016-07-01
Mark Abraham
Fix
u
se of _P
O
SIX_
T
HREAD*
commit
|
commitdiff
|
tree
2016-06-30
M
ark Abraham
Merge b
r
anch release-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-06-29
Ma
r
k Abraham
Refactor sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraha
m
Work aro
u
nd glibc
2
.
2
3 with CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abra
h
am
Update to i
n
clude
a
gcc 6
.
1
c
onfi
g
urati
o
n
commit
|
commitdiff
|
tree
2016-06-28
Mark
Abraham
F
ix
S
IM
D
configuration manag
e
ment
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
Removed unnecessary
i
nte
r
-simulation signa
l
ling
commit
|
commitdiff
|
tree
2016-06-27
Ma
r
k
Ab
r
ah
a
m
Merge branch release-5-1
i
nto rel
e
a
s
e-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
A
l
low use
of
external lmf
i
t packa
g
e
commit
|
commitdiff
|
tree
2016-06-23
Mar
k
Abraham
Prevent use of mdrun -m
a
xh -
m
ult
i
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraha
m
Fix confi
g
uration-
t
ime cpu
i
nfo code
commit
|
commitdiff
|
tree
2016-06-22
Mark Ab
r
aha
m
Merg
e
branch release-
5
-1 i
n
to release-
2
0
1
6
commit
|
commitdiff
|
tree
2016-06-22
Mar
k
Abrah
a
m
Adjust and
do
c
ument C++11 comp
i
l
e
r
t
ests
commit
|
commitdiff
|
tree
2016-06-20
Mar
k
A
b
r
a
ham
Update pre
-
submit matrix contents
commit
|
commitdiff
|
tree
2016-06-19
Mark Abraham
Improve d
o
cs for li
n
king
stdlib
c
++ needed by icc
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraha
m
Merge branch release-
5
-
1
into release-2
0
1
6
commit
|
commitdiff
|
tree
2016-06-17
Mar
k
Abraham
F
ix mult
i
-sim
+
D
D
+ simple d
i
sta
n
c
e
restraints
commit
|
commitdiff
|
tree
2016-06-10
M
ark
A
bra
h
am
Find pytho
n
for docs build quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark Abraham
Merge branch rele
a
se-5
-
1
i
nt
o
r
elea
s
e-20
1
6
commit
|
commitdiff
|
tree
2016-06-07
Mark Abra
h
am
Re-ad
d
support for linking against ext
e
rnal TinyXM
L
-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Updates to documentation
commit
|
commitdiff
|
tree
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