[molpro-user] (no subject)

Andy May MayAJ1 at cardiff.ac.uk
Thu Apr 19 22:08:54 BST 2012


The user has confirmed that compilation works with 2010.1.25.

Best wishes,

Andy

On 13/04/12 08:01, Andy May wrote:
> George,
>
> Looking at your output I can see you are not using the most recent
> version of 2010.1. Can you download and try with 2010.1.25?
>
> If you then still have problems, please send the CONFIG file so we can
> see which compilers etc. are being used.
>
> Best wishes,
>
> Andy
>
> On 13/04/12 07:39, george wrote:
>> Dear Molpro developers,
>> I am installing molpro2010.1
>> version in my laptop I am using Mandriva 2011 OS. After configuring step
>> I issued make command. But it failed with the following highlighted
>> error message. I dont understand where the problem lies. It would be
>> nice if someone help me out.
>>
>> make[1]: Entering directory
>> `/home/george/Downloads/molpro2010.1/utilities'
>> building ftc.exe
>> building molpro-configure
>> building patcher.exe
>> make[1]: Leaving directory
>> `/home/george/Downloads/molpro2010.1/utilities'
>> make[1]: Entering directory `/home/george/Downloads/molpro2010.1/src'
>> Preprocessing include files
>> make[2]: Entering directory
>> `/home/george/Downloads/molpro2010.1/src/global'
>> make[3]: Entering directory
>> `/home/george/Downloads/molpro2010.1/src/global'
>> make[3]: Leaving directory
>> `/home/george/Downloads/molpro2010.1/src/global'
>> make[2]: Leaving directory
>> `/home/george/Downloads/molpro2010.1/src/global'
>> make[2]: Entering directory
>> `/home/george/Downloads/molpro2010.1/src/Molcas/alaska'
>> Rebuilding alaska/depend
>> make[3]: Entering directory
>> `/home/george/Downloads/molpro2010.1/src/Molcas/alaska'
>> preprocessing drvg1.F
>> compiling drvg1.F
>> failed
>> drvg1.F:171.12:
>>
>> P_Eff=Dble(nij)
>> 1
>> Warning: Possible change of value in conversion from REAL(16) to REAL(8)
>> at (1)
>> drvg1.F:237.27:
>>
>> ijS = Int((One+DSqrt(Eight*TskLw-Three))/Two)
>> 1
>> Error: 'x' argument of 'dsqrt' intrinsic at (1) must be double precision
>> make[3]: *** [drvg1.o] Error 1
>> make[3]: Target `targets' not remade because of errors.
>> make[3]: Leaving directory
>> `/home/george/Downloads/molpro2010.1/src/Molcas/alaska'
>> make[2]: *** [default] Error 2
>> make[2]: Leaving directory
>> `/home/george/Downloads/molpro2010.1/src/Molcas/alaska'
>> make[1]: *** [Molcas/alaska] Error 2
>> make[1]: Leaving directory `/home/george/Downloads/molpro2010.1/src'
>> make: *** [src] Error 2
>>
>>
>>
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