AMBER Archive (2008)

Subject: AMBER: PGI amber9 problems

From: Lorenzo Gontrani (
Date: Fri May 16 2008 - 04:52:21 CDT

Dear amber users,
I am trying to compile amber9 on an opteron machine running linux sles10 SP1
with PGI 7.0-2.

I get the following error messages when compiling:

>make serial
>Starting installation of Amber9 (serial) at Fri May 16 04:48:41 CDT 2008.
>cd lib; make install
>make[1]: Entering directory `/root/AMBER_INSTALL/amber9/src/lib'
>cpp -traditional -P new2oldparm.f > _new2oldparm.f
>pgf90 -c -tp p7 -O1 -v -V -Minfo=all -Minform=inform -Mneginfo -o
>new2oldparm.o _new2oldparm.f
>pgf90-Error-Please run makelocalrc to complete your installation

>pgf90 7.0-2 32-bit target on Linux
>Copyright 1989-2000, The Portland Group, Inc. All Rights Reserved.
>Copyright 2000-2007, STMicroelectronics, Inc. All Rights Reserved.
>make[1]: *** [new2oldparm.o] Error 1
>make[1]: Leaving directory `/root/AMBER_INSTALL/amber9/src/lib'
>make: *** [serial] Error 2

I used the same PGI compilers to build other codes, such as MOLPRO.
I tried to run makelocalrc as suggested, but with no success

> makelocalrc /opt/pgi/linux86-64/7.0-2/bin
>PGI directory /opt/pgi/linux86-64
>PGI version 7.0-2
>PATH entry /opt/pgi/linux86-64/7.0-2/bin
>System linker /lib64/
>GCC directory /usr/lib64/gcc/x86_64-suse-linux/4.1.2
>GCC headers /usr/lib64/gcc/x86_64-suse-linux/4.1.2/include
>G77 directory /usr/lib64/gcc/x86_64-suse-linux/4.1.2/
>G77 headers -lgfortran
>GCC version 4.1.2
>GNU LIBC version 2.4
>PGI glibc libs
>PGI glibc headers
>Large file support no
>Threads /usr/lib64/libpthread.{a,so}
>system libnuma.a exists
>sched_setaffinity works
>localrc exists and is the same

Could it be a problem with g77? (the machine doesn't have g77 installed)?

Thanks for any help


Lorenzo Gontrani

Consorzio per le Applicazioni di Supercalcolo Per Universitą e Ricerca
via dei Tizii, 6 - 00185 Roma
Tel +39 06 44486812
Fax +39 06 4957083
GSM +39 338 7615798
Email l DOT gontrani AT caspur DOT it

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