From eloranta@voimax.voima.jkl.fi Sun Aug 3 05:15:11 1997 Received: from voimax.voima.jkl.fi for eloranta@voimax.voima.jkl.fi by www.ccl.net (8.8.3/950822.1) id EAA16857; Sun, 3 Aug 1997 04:32:03 -0400 (EDT) Received: (from eloranta@localhost) by voimax.voima.jkl.fi (8.8.5/8.8.5) id LAA17694; Sun, 3 Aug 1997 11:31:59 +0300 From: Jussi Eloranta Message-Id: <199708030831.LAA17694@voimax.voima.jkl.fi> Subject: Re: CCL:G:Alpha + Linux ? To: m.dickebohm@uni-koeln.de (Markus Dickebohm) Date: Sun, 3 Aug 1997 11:31:59 +0300 (EET DST) Cc: chemistry@www.ccl.net In-Reply-To: from "Markus Dickebohm" at Aug 2, 97 06:03:10 pm Content-Type: text >If you're doing Fortran development it has to be mentioned that the >GNU Fortran Compiler g77 isn't yet ported to Linux Alpha. There was a >successful call for donations on the Alpha-Linux mailinglists for >buying an Alpha machine for the main g77-developper Craig >Burley. Since Craig is using the Alpha now as main development >platform most of the port has been done these days but it isn't >finished. Last time I checked the g77 already contained patches for 64 bit systems (esp. alpha) but I am not sure if it still was stable or not. One thing is that I think that alpha and intel linux systems still use different C libraries. There will be unification at some point to the gnu C library but until then there are some differences in the source code level. >The last major disadvantage of Linux on the Alpha platform is a linker >bug which prevents building large binaries (as far as I know, this is >why Gaussian hasn't been ported to Linux until now). Is this fixed now? If not are there details on this anywhere? >But: if you have a Digital Unix license you can compile your programs on >a machine running Digital Unix and execute them on the Linux one. This >way you get the advantages of both worlds. > At least I had problems with the licensing stuff when I tried to run OSF binaries on linux. Especially the libdxml uses licensing and what's worst it uses threads. I heard that the libdxml can be replaced by some freely available one and the problems are gone. One interesting option is offered by digital where one can run linux/intel binaries on linux/alpha. This is based on their technology which they use on NT. This emulation package is free at least for linux. It would be interesting to see how fast the emulation runs (there has been some very impressive benchmarking results with the windows applications). Once the g77 runs then linux/alpha will be, IHMO, *very* attractive platform for comp. chem. (= cheap & good & fast) Regards, Jussi Eloranta From markus@franck.pc.uni-koeln.de Sun Aug 3 06:15:11 1997 Received: from rs1.rrz.Uni-Koeln.DE for markus@franck.pc.uni-koeln.de by www.ccl.net (8.8.3/950822.1) id FAA16959; Sun, 3 Aug 1997 05:50:18 -0400 (EDT) Received: from franck.pc.uni-koeln.de (markus@acp66.isdn.Uni-Koeln.DE [134.95.30.193]) by rs1.rrz.Uni-Koeln.DE (8.8.5/8.8.6) with ESMTP id LAA117496 for ; Sun, 3 Aug 1997 11:50:19 +0200 Received: (from markus@localhost) by franck.pc.uni-koeln.de (8.8.5/8.8.5) id LAA21008; Sun, 3 Aug 1997 11:50:17 +0200 To: chemistry@www.ccl.net Subject: Re: Alpha + Linux ? References: <199708030831.LAA17694@voimax.voima.jkl.fi> Mime-Version: 1.0 (generated by tm-edit 7.106) Content-Type: text/plain; charset=US-ASCII From: Markus Dickebohm Date: 03 Aug 1997 11:50:15 +0200 In-Reply-To: Jussi Eloranta's message of "Sun, 3 Aug 1997 11:31:59 +0300 (EET DST)" Message-ID: Lines: 58 X-Mailer: Gnus v5.4.63/XEmacs 20.2 X-URL: http://www.uni-koeln.de/~acp66 X-PGP-Fingerprint: A0 FE 17 0C A6 B7 7A 0F F0 A0 04 45 F4 91 54 A7 X-Face: (EiYvvA${"nyp)>kY)*s@0|x+.`PH2*GP}HF}/U6e>vR>0R#V9IF'@a>ce?{Oud Au}2Om|K S6R{JT$|\ZF(IHHey5B(*+8.N_Z.c]O2KVJSxAT-y6RNmspR{:=^^0-fq,>z'a+4'JQyxPMWnZ5#h<( Rq{]7T;:kg^k0-P64revjBT+P)^^':u9>]f2UEFssRXw2a}A63'eq2mhgY].cTp8LvDz0Jf$:CLW=Dl |Y73lr >> Jussi Eloranta schrieb am Sun, 3 Aug 1997 11:31:59 +0300 (EET DST): > Last time I checked the g77 already contained patches for 64 bit > systems (esp. alpha) but I am not sure if it still was stable or not. As I mentioned, the port is in progress. Some people reported that they got it running, but there are still some problems remaining. In the current stadium I wouldn't recommend using it as a main development platform, but this should change with the next release of g77. > One thing is that I think that alpha and intel linux systems still > use different C libraries. There will be unification at some point > to the gnu C library but until then there are some differences in > the source code level. Alpha Linux already uses the Gnu C-library (a.k.a. libc6). This will be the library that Linux Intel is moving to in the next step. There are differences but porting C programs to Linux Alpha is not a big deal. Almost any major package runs fine. > Is this fixed now? If not are there details on this anywhere? The developers are working on this problem but it isn't fixed at the moment in the main distribtions. The best source of informations about Linux-Alpha is the brand new newsgroup "comp.os.linux.alpha". > One interesting option is offered by digital where one can run > linux/intel binaries on linux/alpha. This is based on their > technology which they use on NT. This emulation package is free > at least for linux. It would be interesting to see how fast the > emulation runs (there has been some very impressive benchmarking > results with the windows applications). I could do some benchmarks if there is enough interest but I would not really recommend using this option for computational chemistry. It has to be considered that the FX!32 technology on NT has a major advantage against the EM86 package: there is an incremental translator in the FX!32 package which does a binary translation of Intel code which results in much better performance for future runs of the same problem. Jim Paradis (the main developer at DEC) writes: EM86 is based on the x86 execution engine from FX!32 (which is written entirely in assembler and is VERY carefully hand-tuned to achieve optimum performance on Alpha), but I do not intend to implement the incremental translator > Once the g77 runs then linux/alpha will be, IHMO, *very* attractive > platform for comp. chem. (= cheap & good & fast) I absolutely agree. Markus -- Markus Dickebohm E-Mail: m.dickebohm@uni-koeln.de Physical Chemistry University of Cologne Germany From info@kimberlyte.com Sun Aug 3 23:15:20 1997 Received: from haleakala.aloha.net for info@kimberlyte.com by www.ccl.net (8.8.3/950822.1) id WAA18484; Sun, 3 Aug 1997 22:46:09 -0400 (EDT) Received: from itagaki (oahu-121.u.aloha.net [207.12.0.121]) by haleakala.aloha.net (8.8.5/8.6.9) with SMTP id PAA16275; Sun, 3 Aug 1997 15:40:50 -1000 (HST) Message-Id: <3.0.1.32.19970803154337.008f77b0@aloha.net> X-Sender: mikei@aloha.net X-Mailer: Windows Eudora Light Version 3.0.1 (32) Date: Sun, 03 Aug 1997 15:43:37 To: (Recipient list suppressed) From: "Kimberlyte, Inc" Subject: Protein Chemistry Screensaver Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" As a public service to the chemistry community, Kimberlyte Inc. has made its new protein chemistry screensaver freely available for download at its web site. 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