[no subject]

[Sergey Noskov <syn : at : ibms.sinica.edu.tw>]

Dear All,
 I have a big problems with memory allocation in CHARMM27b1 bothly on SGI
 and GNU platfoorms. Unfortunately, I need to make an aproximate normal
 mode analysis for medium sized protein ( 5362 atom in all hydrogen force
 field). Options like REDU CMP or DIMB diagonalization does not help in
 this program. CHARMM error output include a message like :
 expanded heap on ***** words
 problem with storage
 MALLOC set to 0.0
 Program can create a reduced basis for normal mode analysis for example IC
 FIRST BOND SECOND BOND in order to leave out mode larger than 1000 cm-1
 but crushed during the calculation on diagonalization matrix.
 Did anybody have the same problem and is it possible to fixed it without
 recompilation of CHARMM?
 With best regards,
 Sergey
 Sergey Noskov
 Institute of BioMedical Sciences
 Academia Sinica
 Taipei 11529,Taiwan R.O.C.
 tel:886-2-27899043 (work)
     886-2-26510783 (home)
 fax:886-2-27887641
 e-mail:syn : at : ibms.sinica.edu.tw