[molpro-user] Molpro 2012.1 installation problem,

[Andy May]

 Jyh-Shyong,

We no longer have patcher, there is simply a new complete tarball for
each Patch level that you can download and build, and of course you
should always use the latest one.

Best wishes,

Andy

On 11/04/14 23:42, c00jsh00 at nchc.narl.org.tw wrote:
> Dear Andy,
> 
> The early version of Molpro2012 is OK on our computer, I compiled again without error.
> Now I like to apply patches to it to make it up to date, but there is no patcher.exe
> available for 2012 version, how do I apply patches to this version?
> 
> Regards
> 
> Jyh-Shyong Ho, Ph.D.
> Research Scientist
> National Center for High Performance Computing
> Hsinchu, Taiwan, ROC
>   
> 
> 
> 
> -----Original message-----
> From:Andy May <MayAJ1 at cardiff.ac.uk>
> To:c00jsh00 at nchc.narl.org.tw,molpro-user <molpro-user at molpro.net>
> Date:Fri, 11 Apr 2014 17:09:51
> Subject:Re: [molpro-user] Molpro 2012.1  installation problem,
> 
> Jyh-Shyong,
> 
> I've not been able to reproduce this with the same options using either
> 2012.1.12 or 2012.1.nightly.
> 
> The function definitely exists in:
> 
> src/Molcas/rys_util/xrys2d.F
> 
> so I've no idea why it is declared as undefined. Perhaps there was a
> problem with the compiler during compilation, maybe a temporary glitch
> with the license checkout?
> 
> Best wishes,
> 
> Andy
> 
> On 11/04/14 00:27, c00jsh00 at nchc.narl.org.tw wrote:
>> Dear Molpro users,
>>
>> I am building Molpro 2012.1 executables from source, and get the following error
>> message at the final stage:
>> ...
>> make[4]: Leaving directory `/work/chem/Molpro/src'
>> compiling molver.F90
>> make[3]: Leaving directory `/work/chem/Molpro/src'
>> linking ../bin/molpro.exe
>> failed
>> ../lib/libmolpro.a(drv_pot.o): In function `drv1_pot_':
>> drv_pot.F:(.text+0x23c3): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(drv_pot.o): In function `potintd_':
>> drv_pot.F:(.text+0x302c): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(efint.o): In function `efint_':
>> efint.F:(.text+0x76d): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(naint.o): In function `naint_':
>> naint.F:(.text+0x1343): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(potint.o): In function `potint_':
>> potint.F:(.text+0x67f): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(efprm.o):efprm.F:(.text+0x61b): more undefined references to `xrys2d_' follow
>> make[2]: [../bin/molpro.exe] Error 1 (ignored)
>> failure
>> ../lib/libmolpro.a(drv_pot.o): In function `drv1_pot_':
>> drv_pot.F:(.text+0x23c3): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(drv_pot.o): In function `potintd_':
>> drv_pot.F:(.text+0x302c): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(efint.o): In function `efint_':
>> efint.F:(.text+0x76d): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(naint.o): In function `naint_':
>> naint.F:(.text+0x1343): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(potint.o): In function `potint_':
>> potint.F:(.text+0x67f): undefined reference to `xrys2d_'
>> ../lib/libmolpro.a(efprm.o):efprm.F:(.text+0x61b): more undefined references to `xrys2d_' follow
>> make[2]: *** [../bin/molpro.exe] Error 1
>> make[2]: Leaving directory `/work/chem/Molpro/src'
>> make[1]: *** [default] Error 2
>> make[1]: Leaving directory `/work/chem/Molpro/src'
>> make: *** [src] Error 2
>>
>>
>> There is an undefined reference to xrys2d, any one has an idea where does the xrys2d come from?
>> My configure command is
>>
>> ./configure -auto-ga-mvapich2ib   -Block   -i8 -icc -ifort -j 4 -mpp   -x86_64
>>
>> Thanks for your help.
>>
>> Regards
>>
>> Jyh-Shyong Ho, Ph.D.
>> Research Scientist
>> National Center for High Performance Computing
>> Hsinchu, Taiwan, ROC
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>>