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It would be interesting also to see how g95 (http://g95.sourceforge.net/) performs, both in terms of compiler bugs & speed. -- Ian > -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On > Behalf Of George M. Sheldrick > Sent: 05 January 2006 15:14 > Cc: [email protected] > Subject: Re: [ccp4bb]: gfortran > > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Since gfortran has been subject to some criticism in this > forum, I tried compiling the new sources of shelxc/d/e > currently on my server with it. > Unlike most (all ?) ccp4 program and the older shelx codes > (e.g. shelxl) they cannot be compiled with g77 because they > use a few Fortran-90 facilities (in particular allocatable > arrays). I used the gfortran that came with SuSE 10.0 and > chanced my luck with: > > gfortran shelxc.f -O5 -ffast-math -mtune=pentium4m -static -o shelxc > > and similarly for shelxd and shelxe. The static executables > produced in this way were tested on three random different > computers (3.06 GHz P4, > 1.2 GHz AMD and 2.15 GHz Pentium M laptop) with Linux versions 2.6.11, > 2.2.16 and 2.6.13 resp. All tests ran correctly allowing for > the effects of the random number seeds. The run times varied > appreciably, but the standard Intel ifort executables were a > little faster on average on the genuine Intel CPUs and > gfortran was a little faster on the AMD; the laptop easily > outperformed the two workstations in all tests. > > That looks to me to be already a very respectable result for gfortran! > > George > > -- > Prof. George M. Sheldrick FRS > Dept. Structural Chemistry, > University of Goettingen, > Tammannstr. 4, > D37077 Goettingen, Germany > Tel. +49-551-39-3021 or -3068 > Fax. +49-551-39-2582 > > > Disclaimer This communication is confidential and may contain privileged information intended solely for the named addressee(s). It may not be used or disclosed except for the purpose for which it has been sent. If you are not the intended recipient you must not review, use, disclose, copy, distribute or take any action in reliance upon it. If you have received this communication in error, please notify Astex Therapeutics Ltd by emailing [EMAIL PROTECTED] and destroy all copies of the message and any attached documents. Astex Therapeutics Ltd monitors, controls and protects all its messaging traffic in compliance with its corporate email policy. The Company accepts no liability or responsibility for any onward transmission or use of emails and attachments having left the Astex Therapeutics domain. Unless expressly stated, opinions in this message are those of the individual sender and not of Astex Therapeutics Ltd. The recipient should check this email and any attachments for the presence of computer viruses. Astex Therapeutics Ltd accepts no liability for damage caused by any virus transmitted by this email. E-mail is susceptible to data corruption, interception, unauthorized amendment, and tampering, Astex Therapeutics Ltd only send and receive e-mails on the basis that the Company is not liable for any such alteration or any consequences thereof.
