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I am trying to compile the pmemd module of a software called AMBER version 10
cat /etc/redhat-release shows Red Hat Enterprise Linux AS release 4 (Nahant Update 4) Here's my hardware Quad Core Xeon Processor E53452x4MB Cache, 2.33GHz, 1333MHz FSB, PE2950 (222-7341) Processor: Quad Core Xeon 2nd Processor E5345, 2x4MB Cache, 2.33GHz 1333MHz FSB, PE2950 Memory: 16GB 667MHz (8x2GB), Dual Ranked DIMMs
My brand new Intel compiler ( that I just paid for)
ifort -V Intel Fortran Intel 64 Compiler Professional for applications running on Intel 64, Version 11.0 Build 20081105 Package ID: l_cprof_p_11.0.074 which I just downloaded this week, spits out lots of references to "-tp", then hangs at a particular place in the code for the pmemd module of amber10. The default config file for pmemd has three references to "-tp" F90_OPT_LO = -tpp7 -O0 F90_OPT_MED = -tpp7 -O2 F90_OPT_HI = -tpp7 -xP -ip -O3 The v11 compiler complains that tp is not supported. Then hangs If I replace the -tp with -xHosts I get complaints that the xHost is overriden by xP and the compilation hangs in the same place. If I make the final line of the three in the config file read F90_OPT_HI = -xP -ip -O3 I see no complaints but the process hangs in exactly the same place. A main reason for purchasing the compiler was to produce an executable of this software optimized for my hardware. Its not working for me. Can you help me get v11 to compile my software? Or Can I get a free version 10 ifort which DOES compile the software? Thanks Starr Hazard
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Starr,
-tpp7 is not needed for 11.0, remove it everywhere.
You can download ANY of the older versions of the compiler. Log into https://registrationcenter.intel.com. Once in, that page will have your products. Note the "Downloads" column. It should show something like " 11.0 (074)". That is a hyperlink. Click it. On the page that follows, there are pull-downs that allow you to download all previous versions.
It concerns me when you say the compiler "hangs". Is it just taking a LONG time to compile? Is the code using nested USE statements? We're always interested in finding cases where the compiler is flawed.
Anyhow, feel free to download the older 10.x compiler and give it a try.
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IfOPT_MED actually requires disabling interprocedural options, you should set -fno-inline-functions or -fno-ip. -O0 takes care of disabling those, but they are on by default with higher optimization levels.
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Starr,
-tpp7 is not needed for 11.0, remove it everywhere.
You can download ANY of the older versions of the compiler. Log into https://registrationcenter.intel.com. Once in, that page will have your products. Note the "Downloads" column. It should show something like " 11.0 (074)". That is a hyperlink. Click it. On the page that follows, there are pull-downs that allow you to download all previous versions.
It concerns me when you say the compiler "hangs". Is it just taking a LONG time to compile? Is the code using nested USE statements? We're always interested in finding cases where the compiler is flawed.
Anyhow, feel free to download the older 10.x compiler and give it a try.
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I believe the posting of large sections of Amber violates their copyright. If you are working outside the limits of their support, e.g. with an expired version, the amount of support you would get would be limited, but their copyrights still should be observed.
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I believe the posting of large sections of Amber violates their copyright. If you are working outside the limits of their support, e.g. with an expired version, the amount of support you would get would be limited, but their copyrights still should be observed.
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