[molpro-user] Molpro Installation Problem

Wed Mar 9 18:56:18 CET 2016

Saikat,

As I wrote before, this is a configure option. You should:

1. untar a fresh copy of Molpro
2. copy in the old parse object
3. run ./configure again with the same options you used before plus -noneci
option
4. run make and complete the build as normal

Best wishes,

Andy

On 4 March 2016 at 15:52, <pcsm2 at iacs.res.in> wrote:

>
> Dear Andy:
>
> Now the following error (screen shot attached) we are getting while trying
> to install molpro in rocks cluster parallely.
> As per your suggestion I tried with "make -noneci" but in that case
> molpro.exe is not generated under molpro/bin
> directory is required for parallel installation.
> Please suggest further.
>
> with regards,
> Saikat
>
>
> ----- Message from Andy May <ajmay81 at gmail.com> ---------
>    Date: Thu, 11 Feb 2016 11:07:15 +0000
>    From: Andy May <ajmay81 at gmail.com>
> Subject: Re: [molpro-user] Molpro Installation Problem
>      To: Saikat Mukherjee <pcsm2 at iacs.res.in>
>      Cc: molpro-user at molpro.net
>
> Saikat,
>
> This is a problem with the compiler, you can avoid this by switching off
> compiling this section of code by using the configure option '-noneci.
>
> Best wishes,
>
> Andy
>
> On 10 February 2016 at 15:30, <pcsm2 at iacs.res.in> wrote:
>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>>
>> *Dear Andy: Thanks for your advice. The configure goes well now.  The
>> next problem occurs with "make" command. It comes out with the following
>> error:
>> **************************************************************************************************
>> $(FC) -c $(FFLAGS) $(F90FLAGS) -O3 fcimc_initialisation.F90 $(FC) -c
>> $(FFLAGS) $(F90FLAGS) -O3 fcimc_output.F90 $(FC) -c $(FFLAGS) $(F90FLAGS)
>> -O3 fcimc_iter_utilities.F90 /tmp/ifortaZkltL.i90: catastrophic error:
>> **Internal compiler error: segmentation violation signal raised** 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. compilation aborted for fcimc_iter_utilities.F90 (code
>> 1) make[3]: *** [fcimc_iter_utilities.o] Error 1 ... make[3]: Target
>> `targets' not remade because of errors. make[3]: Leaving directory
>> `/export/home/iacs/Molpro/src/neci' make[2]: *** [default] Error 2 make[2]:
>> Leaving directory `/export/home/iacs/Molpro/src/neci' make[1]: *** [neci]
>> Error 2 make[1]: Leaving directory `/export/home/iacs/Molpro/src' make: ***
>> [src] Error 2
>> ************************************************************************************************************
>> What can be done to make the installation success full. Please suggest.
>> with regards,Saikat ----- Message from Andy May <ajmay81 at gmail.com
>> <ajmay81 at gmail.com>> ---------    Date: Tue, 9 Feb 2016 17:43:16 +0000
>>  From: Andy May <ajmay81 at gmail.com <ajmay81 at gmail.com>> Subject: Re:
>> [molpro-user] Molpro Installation Problem      To: Saikat Mukherjee
>> <pcsm2 at iacs.res.in <pcsm2 at iacs.res.in>>      Cc:*
>>
>> *Saikat, <molpro-user@%3Cspan%20index=>*
>>
>> *It could be this system kernel is too old for the latest parse objects,
>> please download the patch level 0 tarball, then simply copy from there the
>> file src/parse/parse-Linux-x86_64-i8.o to replace the one you have at the
>> moment. <molpro-user@%3Cspan%20index=>*
>> *  <molpro-user@%3Cspan%20index=>*
>> *Best wishes, <molpro-user@%3Cspan%20index=>*
>> *  <molpro-user@%3Cspan%20index=>*
>> *Andy <molpro-user@%3Cspan%20index=>*
>>
>> *On 9 February 2016 at 14:23, <
>> <molpro-user@%3Cspan%20index=>pcsm2 at iacs.res.in <pcsm2 at iacs.res.in>> wrote:*
>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> *Dear Andy, As you suggested I tried to compile a fortran program
>>> (fortran-test.f) with the printed options as:
>>> "/export/intel/composerxe-2011.5.220/bin/intel64/ifort  -i8  -pc64
>>>  -auto -vec-report0  -warn  nousage  -cxxlib  -O0  -lpthread
>>> fortran-test.f" It compiled fine giving no error!! The program ran as well.
>>> My fortran-test.f contains: "       implicit none         integer a
>>> a=1         write(*,*)a         end" Please suggest further. May be the
>>> problem comes due to the "parse" thing. I have no clue on this.    with
>>> best regards,  Saikat ----- Message from Andy May <
>>> <molpro-user@%3Cspan%20index=>ajmay81 at gmail.com <ajmay81 at gmail.com>>
>>> ---------    Date: Tue, 9 Feb 2016 12:18:21 +0000    From: Andy May
>>> <ajmay81 at gmail.com <ajmay81 at gmail.com>> Subject: Re: [molpro-user] Molpro
>>> Installation Problem      To: pcsm2 at iacs.res.in <pcsm2 at iacs.res.in>
>>>  Cc:*
>>>
>>> *Saikat, <molpro-user@%3Cspan%20index=>*
>>> *  <molpro-user@%3Cspan%20index=>*
>>> *The error message gives you a suggestion, can you try compiling a
>>> trivial Fortran program using the printed options to see if it shows what
>>> the problem is? <molpro-user@%3Cspan%20index=>*
>>> *  <molpro-user@%3Cspan%20index=>*
>>> *Best wishes, <molpro-user@%3Cspan%20index=>*
>>> *  <molpro-user@%3Cspan%20index=>*
>>> *Andy <molpro-user@%3Cspan%20index=>*
>>>
>>> *On 6 February 2016 at 10:58, <
>>> <molpro-user@%3Cspan%20index=>pcsm2 at iacs.res.in <pcsm2 at iacs.res.in>> wrote:*
>>>
>>>>
>>>>
>>>> *Dear Molpro User and Developers:We are running molpro 2010 parallely
>>>> in 4 node of IBM Blade.  <molpro-user@%3Cspan%20index=>*
>>>>
>>>> *overview of present cluster architecture defined below:
>>>> <molpro-user@%3Cspan%20index=>*
>>>> *total node: 4 <molpro-user@%3Cspan%20index=>*
>>>> *OS: Rocks cluster 64 bit <molpro-user@%3Cspan%20index=>*
>>>> *network type: tcp/ip <molpro-user@%3Cspan%20index=>*
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> *But while we are trying to install molpro 2012, it is showing
>>>> error:/export/intel/composerxe-2011.5.220/bin/intel64/ifort  -i8  -pc64
>>>>  -auto -vec-report0  -warn  nousage  -cxxlib  -O0  -lpthread"unable to link
>>>> the perse object using:
>>>> /export/intel/composerxe-2011.5.220/bin/intel64/ifort  -i8  -pc64  -auto
>>>> -vec-report0  -warn  nousage  -cxxlib  -O0  -lpthread  /export/home/iacs/
>>>> Molpro/src/boost-install/lib/libboost_system.a  /export/home/iacs/Molpro/
>>>> src/boost-install/lib/libboost_thread.a  -lrt Please check the compiler is
>>>> working, flags are correct and all libraries are present failed to
>>>> determine PARSE Result so far of configure written to CONFIG.errout" Also
>>>> the CONFIG.errout file has been attached below.
>>>> <molpro-user@%3Cspan%20index=>*
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> *Please help us to resolve this issue at your earliest. Thanks in
>>>> advance Saikat Mukherjee Senior Research Fellow Indian Association for the
>>>> Cultivation of Science, India <molpro-user@%3Cspan%20index=>*
>>>>
>>>>
>>>>
>>>> *_______________________________________________ Molpro-user mailing
>>>> list <molpro-user@%3Cspan%20index=>Molpro-user at molpro.net
>>>> <Molpro-user at molpro.net>*
>>>
>>>
>>>
>>>
>>>
>>> *----- End message from Andy May <
>>> <molpro-user@%3Cspan%20index=>ajmay81 at gmail.com <ajmay81 at gmail.com>> -----
>>>  *
>>>
>>
>>
>>
>> *----- End message from Andy May <
>> <molpro-user@%3Cspan%20index=>ajmay81 at gmail.com <ajmay81 at gmail.com>> -----*
>>
>
>
>
> *----- End message from Andy May <ajmay81 at gmail.com <ajmay81 at gmail.com>>
> -----*
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20160309/bb45c15d/attachment.html>