[molpro-user] Installation Molpro 2010.1.22

[Artur Ukleja]

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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