[molpro-user] Installation Molpro 2010.1.22

[Artur Ukleja]

Andy,

thanks a lot for answer. But I can not see the directory INSTLIB/ to 
save the license token. Only there are bin/ and lib/ directories. What 
should I do? Should I create INSTLIB directory on the same level as bin/ 
and lib/ directories? or save the license token in one of the existing 
directories: bin/ or lib/?

Thanks,
Artur

On 6/29/11 1:55 PM, Andy May wrote:
> Artur,
>
> The error you see relates to downloading the license token from the 
> Molpro website. It could perhaps be firewall related or wrong 
> credentials, but it is not worth investigating. The easiest way to fix 
> is to manually log in to the website and download the license token 
> from the website and install it in INSTLIB/.token.
>
> Best wishes,
>
> Andy
>
> On 29/06/11 09:49, Artur Ukleja wrote:
>> Hi Andy,
>>
>> thanks a lot for fast answer. I will install new patch but here my
>> problem was stupid. As first I should install Molpro2010.1 and the patch
>> 2010.1.22 (or 23) just after. I did know about that and I tried to
>> install patch 2010.1.22 without Molpro2010.1. I am sorry again but I was
>> installing of Molpro for the first time and I did know about that.
>>
>> May I have now other question for you?
>>
>> I got strange info during installation process. One note is that :
>> Installation of Molpro files complete" and just after new note that:
>> "Error: Token downloaded unsucessful". Comment is as follows:
>>
>> [arturu at wn2079 molpro2010.1]$ make install
>> make[1]: Entering directory 
>> `/vosoft/plgrid/molpro/molpro2010.1/utilities'
>> make[1]: Nothing to be done for `default'.
>> make[1]: Leaving directory 
>> `/vosoft/plgrid/molpro/molpro2010.1/utilities'
>> ......
>> make[1]: Leaving directory `/vosoft/plgrid/molpro/molpro2010.1/lib'
>> make[1]: Entering directory `/vosoft/plgrid/molpro/molpro2010.1'
>> building local-install.sh.gz
>> make[1]: Leaving directory `/vosoft/plgrid/molpro/molpro2010.1'
>> tar: molpros_2010_1_Linux_x86_64_i8.template: time stamp 2011-06-28
>> 17:45:15 is 153 s in the future
>> tar: molpros_2010_1_Linux_x86_64_i8.exe: time stamp 2011-06-28 17:45:15
>> is 152 s in the future
>>
>> Installation of Molpro files complete
>>
>> Please give your username for accessing molpro
>> xxxxx
>>
>> Please give your password for accessing molpro
>> xxxxx
>>
>> Error: Token downloaded unsucessful
>> make: *** [install] Error 1
>> [arturu at wn2079 molpro2010.1]$
>>
>>
>> Do you have idea what means? Is the Molpro2010.1 correctly installed or
>> not? Should I be in stress due to note: "Error: Token downloaded
>> unsucessful" or maybe should I ignored if note above says that
>> "Installation of Molpro files complete"? I checked that the *.exe files
>> were created in the proper directory.
>>
>> Once again thanks a lot. I appreciate your help very much.
>> Cheers,
>> Artur
>>
>>
>> On 6/28/11 3:13 PM, Andy May wrote:
>>> Artur,
>>>
>>> The problem has occured building MPICH2, you can hopefully see the
>>> source of the problem in src/mpich2-1.3.3rc1/make.log.
>>>
>>> We are now on Molpro 2010.1.23, so I recommend to use this version of
>>> Molpro (which now uses MPICH2 1.4).
>>>
>>> However, I believe the main source of the problem is likely to be
>>> GCC/Gfortran 4.1.2. Unfortunately, Gfortran had many bugs in it's
>>> early versions and could not successfully build Molpro (and probably
>>> many other applications). I think you need at least GCC/Gfortran 4.3,
>>> and if you are going to the trouble of installing another GCC/Gfortran
>>> version I would recommend 4.5.
>>>
>>> Best wishes,
>>>
>>> Andy
>>>
>>> On 28/06/11 12:49, Artur Ukleja wrote:
>>>> Dear Molpro team,
>>>>
>>>> I am trying to install Molpro 2010.1.22 on Scientific Linux CERN SLC
>>>> release 5.6 (Boron) machine without success.
>>>>
>>>> The configuration stuck during "make" command (as I guess). I seems 
>>>> that
>>>> compilation has started but failed just after called "make".
>>>>
>>>> I am using the following command to compile:
>>>>
>>>> [arturu at wn2079 Molpro]$ ./configure -batch -gcc -gfortran -mpp
>>>> -auto-ga-tcgmsg-mpich2 -instroot /vosoft/plgrid/molpro/molpro2010.1.22
>>>> -noblas -nolapack
>>>>
>>>>
>>>> just after I got following result:
>>>>
>>>> [arturu at wn2079 Molpro]$ ./configure -batch -gcc -gfortran -mpp
>>>> -auto-ga-tcgmsg-mpich2 -instroot /vosoft/plgrid/molpro/molpro2010.1.22
>>>> -noblas -nolapack
>>>>
>>>> machine type recognized as x86_64 (Generic 64-bit)
>>>> kernel recognized as Linux
>>>>
>>>> user request compiler gfortran
>>>> GNU Fortran Compiler, Version 4.1.2
>>>> FC=/usr/bin/gfortran
>>>>
>>>> user request compiler gcc
>>>> GNU Compiler Collection, Version 4.1.2
>>>> CC=/usr/bin/gcc
>>>>
>>>> starting auto-build of prerequisites
>>>>
>>>> % Total % Received % Xferd Average Speed Time Time Time Current
>>>> Dload Upload Total Spent Left Speed
>>>> 100 18.6M 100 18.6M 0 0 3584k 0 0:00:05 0:00:05 --:--:-- 4199k
>>>>
>>>> building MPICH2 version 1.3.3rc1, each step could take a few minutes
>>>>
>>>> ./configure --prefix=/vosoft/plgrid/molpro/Molpro/src/mpich2-install
>>>> --with-device=ch3:nemesis --with-pm=hydra --enable-f77
>>>> F77=/usr/bin/gfortran --enable-fc FC=/usr/bin/gfortran --enable-cc
>>>> CC=/usr/bin/gcc --enable-cxx CXX=/usr/bin/g++
>>>> make
>>>> failed
>>>>
>>>> Result so far of configure written to CONFIG.errout
>>>> [arturu at wn2079 Molpro]$
>>>>
>>>>
>>>> I also attach CONFIG.errout file to this email. Does anybody have any
>>>> idea how to fix it?
>>>> Thank you in advance for any suggestions,
>>>> Artur Ukleja
>>>>
>>>>
>>>>
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>>