Could one or both of you try this with the pre-compiled intel version
that comes from the CNS website? If it works on that, it might be
something introduced in the compiling process for the osx-optimized
version made by David.
Thanks.
Bill
On Apr 23, 2008, at 7:26 AM, Sean Johnson wrote:
Raja,
I don't have an answer for you, but I have been experiencing the
same problem. My guess is that a bug was introduced into version
1.2. My workaround is to use DM. I haven't had problems with any
of the other cns scripts in version 1.2.
Sean
Raja Dey wrote:
Hi All,
I am trying to run density_modify.inp in cns 1.2. it stops
with the error enclosed below. But, it runs with cns 1.1 perfectly.
I am using the same two data files(e.g. p65_se_rdey.hkl.cv and
combine.hkl). Does anyone have experience like this? Any solution
is well appreciated. Regards...
Raja
ANOMalous=TRUE {ON}
Program version= 1.2 File version= 1.2
%XMAPASU-AUTOmem: increasing memory allocation to 2000000
Minimum brick that covers asymmetric unit:
A= 0,..., 64 B= 0,..., 64 C= 0,..., 25
Sum of 5287 elements = 5287.0000
SHOW: average of 102400 elements= 0.0000
ANOMalous=TRUE {ON}
XMPST: average = 0.0000 minimum = 0.0000 maximum = 0.0000
XMPST: r.m.s. = 0.0000 norm = 0.0000
XMHISTO: (default from map) RHOMIN and RHOMAX = 0.0000 0.0000
%XMHISTO-ERR: a complete flat map.
XMHISTO: (default from map) SLOT width = 0.000000
%XMHISTO-ERR: the SLOT width is too small 0.00000
XMHISTO: the number of slots MBINS=10000 and width SLOT= 0.0000
%XDOTYPE-ERR: Variable/type mismatch:
do (masksol=1) (real(automap) <= $cutoff)
^
%DO-ERR: Data type mismatch. Selection must be a logical
expression.:
do (masksol=1) (real(automap) <= $cutoff)
^
%SHOW error encountered: There were errors in DO expression.
(CNS is in mode: SET ABORT=NORMal END)
*****************************************************
ABORT mode will terminate program execution.
*****************************************************
Program will stop immediately.
============================================================
Maximum dynamic memory allocation: 18336916 bytes
Maximum dynamic memory overhead: 360 bytes
Program started at : 18:01:44 on 21-Apr-2008
Program stopped at : 18:01:46 on 21-Apr-2008
CPU time used : 1.9700 seconds
Total runtime : 0.0000 seconds
Program compiled by David Gohara
Regards... Raja
------------------------------------------------------------------------
Meet people who discuss and share your passions. Join them now. <http://in.rd.yahoo.com/tagline_groups_7/*http://in.promos.yahoo.com/groups/bestofyahoo/
>
--
Sean Johnson, PhD
R. Gaurth Hansen Assistant Professor
Utah State University
Department of Chemistry and Biochemistry
0300 Old Main Hill
Logan, UT 84322-0300
(435) 797-2089
(435) 797-3390 (fax)
[EMAIL PROTECTED]
