Re: [AMBER] AMBER18 compilation using intel compiler

From: <pavel.banas.upol.cz>
Date: Wed, 03 Oct 2018 17:35:38 +0200 (CEST)

Thank you very much for answer. Concerning intel compiler version, I just
forwarded the message I obtained from our admin, so by "new" intel compiler
he probably meant newest that is available on the cluster (but still rather
old) - sorry for confusion.
We are using Debian GNU/Linux 7 (wheezy).
I will ask for change of the Makefile and recompilation with 4.9 and I will
post here the result.

thank you very much,

Pavel

-- 
Pavel Banáš
pavel.banas.upol.cz
Department of Physical Chemistry, 
Palacky University Olomouc 
Czech Republic 
---------- Původní e-mail ----------
Od: David A Case <david.case.rutgers.edu>
Komu: AMBER Mailing List <amber.ambermd.org>
Datum: 3. 10. 2018 16:06:40
Předmět: Re: [AMBER] AMBER18 compilation using intel compiler 
"On Wed, Oct 03, 2018, pavel.banas.upol.cz wrote: 
> we are not able to compile AMBER18 version with new intel compiler (13). 
It 
> fail on this error 
Intel compiler versions are labelled by the year of release, so version 
13 is not really "new". My understanding (others can correct this) is 
that we have tested Intel compilers from 16 to 18. 
What OS are you using? 
> 
> GCC 4.7 
> safemem.F90:1404:0: error: type mismatch in binary expression 
Odd: I don't see any "binary expression" at line 1404.... But the oldest 
gnu compiler tested might have been 4.9.1. 
> GCC 4.9 
> /usr/bin/ld: fftw3_dummy.o: relocation R_X86_64_32 against `.text' can not
> be used when making a shared object 
> ; recompile with -fPIC 
You might try to change line 468 of 
AMBERHOME/AmberTools/src/sander/Makefile to: 
$(CC) $(CFLAGS) -c fftw3_dummy.c 
The $(CFLAGS) option looks like it should be there, and will add -fPIC 
to the compile-time options. 
Thanks for the reports. Old-ish compilers present a challenge in asking 
people to compile code themselves. The gcc 4.7 series was begun in 
2012, and the 4.9 series in 2014. But if there are simple things we can 
do to accommodate older compilers, we'll try to get those in. 
....dac 
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Received on Wed Oct 03 2018 - 09:00:02 PDT