From owner-chemistry: at :ccl.net Fri May 26 14:09:01 2006 From: "Rick Venable rvenable]-[pollux.cber.nih.gov" To: CCL Subject: CCL: installing CHARMM problems Message-Id: <-31850-060526140118-17007-cpWdPYH63L+A084ENr3Iow===server.ccl.net> X-Original-From: Rick Venable Content-Type: TEXT/PLAIN; charset=US-ASCII Date: Fri, 26 May 2006 13:58:18 -0400 MIME-Version: 1.0 Sent to CCL by: Rick Venable [rvenable(a)pollux.cber.nih.gov] You should subscribe to the CHARMM forums at www.charmm.org, and post this question in the "Installation and Performance" forum; be sure to provide more detail, such as the OS name and release version, likewise for the compilers you are using. Note that c32b2 was released in Feb 2006, and there are some important changes for 64-bit Linux since c31b1. ------------------------------------- Rick Venable 29/500 FDA/CBER/OVRR Biophysics Lab 1401 Rockville Pike HFM-419 Rockville, MD 20852-1448 U.S.A. (301) 496-1905 Rick_Venable AT nih*gov ALT email: rvenable AT speakeasy*org ------------------------------------- > Sent to CCL by: "zunnan Huang" [znhuang ~ chemdept.chem.ou.edu] > Dear all: > > Today I failed to install the CHARMM program (version: c31b1) on two > machines. > > When I installed the program on the machine SGI Altix 3700 Bx2 by > using the command (./install.com altix medium full), no error happend. > However, CHARMM program could not run. The message is: "Charmm: error > while loading shared libraries: charmm: undefined symbol: > ?0_memcopyA". > > It was very difficult to install the program on the machine Dell 1850 > Dual Core Cluster. Though I tried dfferent host-machine-type and > install switches, there were always some problems. If I used the > command (./install.com gnu medium full), the message is "umb.f:O: > error: -malign-double makes no sense in the 64bit mode". Later when I > deleted "-malign-double" in the Makefile_gnu, I could finish the > installment but CHARMM program still could not run (The message is > "segment error"). > > I would really appreciate it if someone could give a help.