× 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 :)

Error mrcc2019 Intel compiler

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7 months 2 weeks ago #682 by rayxalapa
Hi everyone!

I run the script for compile the new mrcc2019
./build Intel -pOMP

I have ifort 18.0.0.128 Build 20170811
GCC 7.3 glibc 2.26
and appears the next error

Linking goldstone with libraries: -mkl=parallel -lpthread
Linking mrcc with libraries: -mkl=parallel -lpthread
Linking integ with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking scf with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking ovirt with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking orbloc with libraries: -mkl=parallel -lpthread
Linking mulli with libraries: -mkl=parallel -lpthread
Linking prop with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking ccsd with libraries: -mkl=parallel -lpthread
Linking uccsd with libraries: -mkl=parallel -lpthread
Linking xmrcc with libraries: -mkl=parallel -lpthread
Linking drpa with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking cis with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking minp with libraries: -mkl=parallel -lpthread
Linking qmmod with libraries: -mkl=parallel -lpthread
Linking dmrcc with libraries: -mkl=parallel -lpthread

Thanks in advance!
Raymundo

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7 months 2 weeks ago #683 by nagypeter
Hello Raymundo!

It would be useful to see the entire output of the build script, including the compilation part.
My guess is that the object of intio.c and the object of the Fortrans are not compatible.

I would suggest to use the intel C compiler, icc instead of gcc.
You have to make sure that icc is found first by the build script and recompile all the object files (at least for all the C sources).
E.g. delete intio.o xalloc.o signal.o and
./build Intel -pOMP

Feel free to ask any further questions.
Thanks for trying our code,
Peter

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7 months 2 weeks ago #684 by rayxalapa
The entire output is:

"MRCC installation

Intel Fortran Compiler Version 18
Fortran compiler: ifort
C compiler: icc
FC options: -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP
CC options: -DIntel -DINT64 -DOMP

Compiling oneint_shc with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling nucint with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling nucint_shc with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling onein1 with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling onein1_sh with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling onein1_shc with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling nuceq1 with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling nuceq1_shc with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling nucat1 with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling nucat1_shc with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling der_interface_subs with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling intsub_der with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling dfint_triplets_der with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling brasub_der with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling ketsub_der with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling hrrspher with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp
Compiling ccsdmain with options -fpp -O3 -i8 -assume byterecl -DIntel -DINT64 -DOMP -qopenmp

Compiling xalloc with options -DIntel -DINT64 -DOMP

Linking goldstone with libraries: -mkl=parallel -lpthread
Linking mrcc with libraries: -mkl=parallel -lpthread
Linking integ with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking scf with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking ovirt with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking orbloc with libraries: -mkl=parallel -lpthread
Linking mulli with libraries: -mkl=parallel -lpthread
Linking prop with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking ccsd with libraries: -mkl=parallel -lpthread
Linking uccsd with libraries: -mkl=parallel -lpthread
Linking xmrcc with libraries: -mkl=parallel -lpthread
Linking drpa with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking cis with libraries: -mkl=parallel -lpthread
intio.o: file not recognized: File truncated
Linking minp with libraries: -mkl=parallel -lpthread
Linking qmmod with libraries: -mkl=parallel -lpthread
Linking dmrcc with libraries: -mkl=parallel -lpthread"

However I ran the script "./build.mrcc Intel -pOMP" with intel compilers 2019 and it succeeded.
Intel 2018 does use icc as you suggested, but had the last error.

Thanks for the support!
Ray

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7 months 2 weeks ago #686 by nagypeter
Dear Ray,

In the posted output you can see that the intio.o was not compiled. Perhaps you are running the build.mrcc script with the same settings but with different compiler versions. That could be problematic since the object files created by different compiler versions are not necessary compatible.

I would suggest to start over in a clean folder and make sure that the same compiler compiles all sources. Then run the test jobs for checking the install.

I hope you will have a nice experience with our code!
Best wishes,
Peter

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