From owner-chemistry@ccl.net Thu Jan 4 21:30:38 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.6.10/950822.1) id VAA03177; Thu, 4 Jan 1996 21:18:48 -0500 Received: from chem.duke.edu for taisung@chem.duke.edu by bedrock.ccl.net (8.7.1/950822.1) id VAA13035; Thu, 4 Jan 1996 21:18:45 -0500 (EST) Received: from debye.chem.duke.edu (debye.chem.duke.edu [152.3.169.112]) by chem.duke.edu (8.7.1/Duke-1.1) with ESMTP id VAA12416; Thu, 4 Jan 1996 21:18:37 -0500 (EST) Received: (taisung@localhost) by debye.chem.duke.edu (8.7.1/Duke-1.1) id VAA09955; Thu, 4 Jan 1996 21:18:27 -0500 (EST) Date: Thu, 4 Jan 1996 21:18:25 -0500 (EST) From: Taisung Lee To: chemistry@ccl.net Subject: Good Fortran Compiler for computational science on PC? Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi Computational Chemists: This is a computer-related question but also a little computational science-related. We are developing some quantum calculation codes. According to our test, the performance of Intel Pentium-100 is around 1/2-1/5 of an IBM/RS6000 3CT (the same CPU as 590). And, surely, Pentium is much much cheaper. According the last issue of Byte magzine, the PentiumPro-200 (P6), with SPECint92=~360, SPECFp92=~260), is as fast as IBM/RS6000 3CT. But the problem comes, we don't any good Fortran90 compiler. We just tried Microsoft Fortran PowerStation 4.0. It has very nice developer interface and is quite easy to use. However, it only compiles small test programs; for big 'real' programs, we just got a lot of ridiculous errors. Afer two weeks work, we returned it. So, we want to know is there any computation chemist using PC as a calculational power and can anyone suggest a good Fortran 90 compiler? If there is any good Fortran90 compiler, it seems to us that PC can be a much cheaper choice for scientists. Thanks in advance. Taisung Lee