× If you run into troubles, it is always a good habit to report the following information:
  • the way build.mrcc was invoked
  • the output of build.mrcc
  • compiler version (for example: ifort -V, gfortran -v)
  • blas/lapack versions
  • as well as gcc and glibc versions

as well as the value of the relevant environmental variables, such OMP_NUM_THREADS, etc.

This information helps us a lot when figuring out what is going on with your compilation :)

gfortran cannot compile xmrcc.f

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5 months 2 weeks ago #1229 by kipeters
Hi,

I'm attempting to compile the latest MRCC with gfortran 10.2.1, but xmrcc.f throws the error:

 3962 |             call rospc(wspc2,wspc3,nvirtoldact,noccoldact,wsmax)
      |                       1
Error: Actual argument contains too few elements for dummy argument 'iadd' (2/13) at (1)
xmrcc.f:3963:39:

Perhaps there is a patch for this, but I can't determine what the correct file extension is in the patch downloads for xmrcc.

best regards,  -Kirk

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5 months 2 weeks ago #1230 by kallay
Dear Kirik,
Now you will find a patch for xmrcc.f that (hopefully) fixes this problem.

Best regards,
Mihaly Kallay

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5 months 2 weeks ago #1231 by pdupre
Hello,

I do have a similar issue

Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2)
mrcc.f:3003:16:

 3003 |      $dcore(jj),absind,icore(kk),ltpr,tprtol,crf,lcvs,ncvs,cvsorb)
      |                1
Error: Rank mismatch in argument ‘absind’ at (1) (rank-2 and scalar)
mrcc.f:3012:72:

Error: Rank mismatch in argument ‘coord’ at (1) (rank-2 and scalar)
dfintloc.f:3614:17:

 3614 |      $gexp,gcoef,coord,ncartmax,ctostr,cartg,nsphermax,cf,boysval,
      |                 1
Error: Rank mismatch in argument ‘coord’ at (1) (rank-2 and scalar)


Compiling mrcc_manager with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8  -DGNU -DINT64  -fopenmp -DOMP   
Compiling mrcc_manager_main with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8  -DGNU -DINT64  -fopenmp -DOMP   
Compiling mrcc with options -x f95-cpp-input -ffree-line-length-none -O3 -Dgfortran -fdefault-integer-8  -DGNU -DINT64  -fopenmp -DOMP   

Do I need the patch ?

Thanks;

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5 months 1 week ago #1232 by kipeters
success! thank you, -Kirk

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5 months 1 week ago #1241 by pdupre
A solution is to use the option
-std=legacy
The following user(s) said Thank You: rayxalapa

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5 months 1 week ago #1242 by kipeters
thanks!

-Kirk

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