A bug in compiling nwchem 6.5

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9:09:24 AM PDT - Thu, Sep 11th 2014
Dear nwchem users and developers

I am trying to compile nwchem 6.5 for a linux x86_64 machine with openmpi (1.8.1).
I used Intel ifort (Version 11.0.083) and icc compilers as I did in previous successful compilation.
But this time the following error appears in make.log file:


util_eri_cholesky.F
util_eri_cholesky.F(277): (col. 17) remark: LOOP WAS VECTORIZED0_1871
: catastrophic error: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report.  Note: File and line given may not be explicit cause of this error.
in file util_eri_cholesky.F, line 377, column 11
.
compilation aborted for util_eri_cholesky.F (code 3)
make[2]: *** [/home/colab03/Templates/nwchem-6.5/lib/LINUX64/libnwcutil.a(util_eri_cholesky.o)] Error 3
make[2]: *** Waiting for unfinished jobs....
dgami.f(705): (col. 10) remark: LOOP WAS VECTORIZED.
dgami.f(698): (col. 10) remark: LOOP WAS VECTORIZED.
make[1]: *** [optimized] Error 2
make[1]: *** Waiting for unfinished jobs....
make: *** [libraries] Error 1
                                                                                                                                                                             5318,1        Bot

Anyone can help my?
Thanks in advance
Edited On 9:14:13 AM PDT - Thu, Sep 11th 2014 by Hajiabadi

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9:24:10 AM PDT - Thu, Sep 11th 2014
The following should work

cd $NWCHEM_TOP/src/util
make FC=ifort FOPTIMIZE=-O2
cd ..
make FC=ifort

Just Got Here
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10:41:17 AM PDT - Thu, Sep 11th 2014
Quote:Edoapra Sep 11th 10:24 am
The following should work

cd $NWCHEM_TOP/src/util
make FC=ifort FOPTIMIZE=-O2
cd ..
make FC=ifort


Dear Edoapra

It seems that this option works.
When I invoke make command in $NWCHEM_TOP/src/util folder as you said the compiler work without error but it don't create any object file in $NWCHEM_TOP/src/util folder and when return to $NWCHEM_TOP/src folder and reinvoke make without FC=ifort FOPTIMIZE=-O2 option the same error appears!

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3:19:54 PM PDT - Thu, Sep 11th 2014
Could you please report the full output/log you are getting from the commands I suggested you?
Thanks, Edo

Just Got Here
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5:30:52 AM PDT - Fri, Sep 12th 2014
Dear Edoapra

I changed uutil_eri_cholesky.o in $NWCHEM_TOP/src/util/GNUmakefile form an OBJ_OPTIMIZE to an OBJ variable, and this solved the problem.

Thanks for your consideration
Kind Regards


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