Using CNS version 0.5, I ran model_phase.inp to calculate phases, FOM,
H-L Coefficients, which generated a file with FOM_MOD as one of the
fields instead of sigma. The next script, density_modify.inp, asks for
sigma as an input field. If I run the script with FOM_MOD in the input
field for obs_sigf, I get the following error message in the log file
after a long time:
CNSsolve>
CNSsolve> xray
XRAY> set echo=off end
NEXTCD: condition evaluated as false
NEXTCD: condition evaluated as false
NEXTCD: condition evaluated as false
NEXTCD: condition evaluated as false
NEXTCD: condition evaluated as false
NEXTCD: condition evaluated as false
XRAY> declare name=&STRIP%out_f domain=reciprocal type=complex end
XDECLARE: Object FULL_MOD has been declared.
XRAY> declare name=&STRIP%out_fom domain=reciprocal type=real end
%XDECLARE-ERR: Object FOM_MOD already exists -- cannot be re-declared.
%XDECLARE error encountered: Object cannot be re-declared.
(CNS is in mode: SET ABORT=NORMal END)
*****************************************************
ABORT mode will terminate program execution.
*****************************************************
Program will stop immediately.
============================================================
Maximum dynamic memory allocation: 399092344 bytes
Maximum dynamic memory overhead: 448 bytes
Program started at: 13:44:56 on 24-Feb-99
Program stopped at: 19:19:11 on 24-Feb-99
CPU time used: 19735.1992 seconds
============================================================
How can model_phase be modified to output sigma in the reflection file?
Or can the FOM_MOD field be changed to simply FOM and used in the input
field as I did in the aborted run since FOM is modified in each cycle?
Or is there another fix possible?
Ed Czerwinski
Univ Texas Medical Branch
edcz at hbcg.utmb.edu
