Hi, from the configure line you reported it seems you are using ftn compiler (F90=ftn MPIF90=ftn) with cuda taken from nvhpc (--with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/22.7/cuda)...
Ivan ________________________________ From: users <[email protected]> on behalf of [email protected] <[email protected]> Sent: Tuesday, May 23, 2023 12:00 PM To: [email protected] <[email protected]> Subject: users Digest, Vol 190, Issue 21 Send users mailing list submissions to [email protected] To subscribe or unsubscribe via the World Wide Web, visit https://lists.quantum-espresso.org/mailman/listinfo/users or, via email, send a message with subject or body 'help' to [email protected] You can reach the person managing the list at [email protected] When replying, please edit your Subject line so it is more specific than "Re: Contents of users digest..." Today's Topics: 1. [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive (Siwakorn Sukharom) 2. Re: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive (Paolo Giannozzi) 3. Re: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive (Siwakorn Sukharom) 4. R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive (Pietro Davide Delugas) ---------------------------------------------------------------------- Message: 1 Date: Tue, 23 May 2023 04:47:25 +0000 From: Siwakorn Sukharom <[email protected]> To: "[email protected]" <[email protected]> Subject: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Message-ID: <[email protected]> Content-Type: text/plain; charset="windows-1252" I try to compile QE for gpu. My HPC system is AMD EPYC? 7713 + Nvidia A100, and it is based on Cray programming environment. For compilation, i used nvhpc/22.7 + cray-mpich + cray-fftw For configure i use this and edit in make.inc later ./configure --enable-parallel --with-scalapack=no \ CC=cc CXX=CC FC=ftn F77=ftn F90=ftn MPICC=cc MPICXX=CC MPIF77=ftn MPIF90=ftn \ FFT_LIBS="-L$FFTW_ROOT/lib -lfftw3" \ --with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/22.7/cuda --with-cuda-cc=80 --with-cuda-runtime=11.7 --enable-openmp \ Here is my make.inc https://drive.google.com/file/d/1HfVtuRXsburug_Ks6wcsSDwrA6m0QHaH/view?usp=sharing The error when I compiled is ftn -O1 -D__FFTW3 -D__CUDA -D__MPI -cuda -gpu=cc80,cuda11.7 -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/src -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/include -acc -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/src -I. -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//include -I/opt/cray/pe/fftw/3.3.10.3/x86_milan/include -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//upflib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//XClib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//Modules -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//FFTXlib/src -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//LAXlib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//UtilXlib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//MBD -I/lustrefs/disk/project/thaisc/siwakorn/QE/ins tall/qe-7.2_gpu//KS_Solvers -I../../dft-d3/ -c drhoc_tmp.f90 -o drhoc.o NVFORTRAN-F-1225-Unmatched directive END - DATA. (drhoc_tmp.f90: 90) NVFORTRAN/x86-64 Linux 22.7-0: compilation aborted make[2]: *** [../../make.inc:16: drhoc.o] Error 2 make[2]: *** Waiting for unfinished jobs.... any suggestion? ________________________________ Disclaimer: This e-mail and any files transmitted with it may contain confidential and proprietary information of the National Science and Technology Development Agency (NSTDA), Thailand. They are intended solely for the use of the addressed individuals or entities. If you are not the intended recipient, you are required to immediately delete this e-mail and its contents from your system. Any disclosure, distribution, or action based upon the contents of this e-mail is strictly prohibited. Any views or opinions presented in this e-mail are solely those of the sender and do not necessarily represent those of NSTDA. NSTDA does not accept any responsibility for the content of this message or the consequences of any actions taken on the basis of the information provided. NSTDA accepts no liability for any damage caused by any virus or malware which may be inserted in this e-mail during transmission. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230523/6e64e45f/attachment-0001.html> -------------- next part -------------- A non-text attachment was scrubbed... Name: make.inc Type: application/octet-stream Size: 6789 bytes Desc: make.inc URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230523/6e64e45f/attachment-0001.obj> ------------------------------ Message: 2 Date: Tue, 23 May 2023 08:28:21 +0200 From: Paolo Giannozzi <[email protected]> To: Quantum ESPRESSO users Forum <[email protected]> Subject: Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Message-ID: <[email protected]> Content-Type: text/plain; charset=UTF-8; format=flowed On 23/05/2023 06:47, Siwakorn Sukharom wrote: > /NVFORTRAN-F-1225-Unmatched directive END - DATA. (drhoc_tmp.f90: 90)/ > /NVFORTRAN/x86-64 Linux 22.7-0: compilation aborted/ go to line 90 of PW/src/drhoc_tmp.f90 and see what is wrong there Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216 ------------------------------ Message: 3 Date: Tue, 23 May 2023 06:53:20 +0000 From: Siwakorn Sukharom <[email protected]> To: Paolo Giannozzi <[email protected]>, Quantum ESPRESSO users Forum <[email protected]> Subject: Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Message-ID: <[email protected]> Content-Type: text/plain; charset="us-ascii" line 90 in drhoc_tmp.f90 https://drive.google.com/file/d/1o7kLvFoCqitx803Qz_xCyTGYqG_LzbSm/view?usp=sharing is !$acc end data I can't tell what is wrong there, but is it because there is no corresponding !$acc data directive that would start a data region? ________________________________ From: Paolo Giannozzi <[email protected]> Sent: Tuesday, May 23, 2023 1:28:21 PM To: Quantum ESPRESSO users Forum Cc: Siwakorn Sukharom Subject: Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive On 23/05/2023 06:47, Siwakorn Sukharom wrote: > /NVFORTRAN-F-1225-Unmatched directive END - DATA. (drhoc_tmp.f90: 90)/ > /NVFORTRAN/x86-64 Linux 22.7-0: compilation aborted/ go to line 90 of PW/src/drhoc_tmp.f90 and see what is wrong there Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216 ________________________________ Disclaimer: This e-mail and any files transmitted with it may contain confidential and proprietary information of the National Science and Technology Development Agency (NSTDA), Thailand. They are intended solely for the use of the addressed individuals or entities. If you are not the intended recipient, you are required to immediately delete this e-mail and its contents from your system. Any disclosure, distribution, or action based upon the contents of this e-mail is strictly prohibited. Any views or opinions presented in this e-mail are solely those of the sender and do not necessarily represent those of NSTDA. NSTDA does not accept any responsibility for the content of this message or the consequences of any actions taken on the basis of the information provided. NSTDA accepts no liability for any damage caused by any virus or malware which may be inserted in this e-mail during transmission. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230523/8ae9de74/attachment-0001.html> -------------- next part -------------- A non-text attachment was scrubbed... Name: drhoc_tmp.f90 Type: application/octet-stream Size: 2642 bytes Desc: drhoc_tmp.f90 URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230523/8ae9de74/attachment-0001.obj> ------------------------------ Message: 4 Date: Tue, 23 May 2023 06:53:55 +0000 From: Pietro Davide Delugas <[email protected]> To: Quantum ESPRESSO users Forum <[email protected]> Subject: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive Message-ID: <am6pr0702mb3768821398bc222a50644ee6af...@am6pr0702mb3768.eurprd07.prod.outlook.com> Content-Type: text/plain; charset="windows-1252" As the compiler is compiling a _tmp file, you are most likely using cpp or some external preprocessor. You should check that the preprocessing is done by the nvfortran compiler with the -acc option passed. Otherwise, you can try adding by hand the -D_OPENACC to the DFLAGS on MANUAL_DFLAGS variables in the "make.inc" file hope it helps Pietro ________________________________ Da: users <[email protected]> per conto di Siwakorn Sukharom <[email protected]> Inviato: marted? 23 maggio 2023 06:47 A: [email protected] <[email protected]> Oggetto: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive I try to compile QE for gpu. My HPC system is AMD EPYC? 7713 + Nvidia A100, and it is based on Cray programming environment. For compilation, i used nvhpc/22.7 + cray-mpich + cray-fftw For configure i use this and edit in make.inc later ./configure --enable-parallel --with-scalapack=no \ CC=cc CXX=CC FC=ftn F77=ftn F90=ftn MPICC=cc MPICXX=CC MPIF77=ftn MPIF90=ftn \ FFT_LIBS="-L$FFTW_ROOT/lib -lfftw3" \ --with-cuda=/opt/nvidia/hpc_sdk/Linux_x86_64/22.7/cuda --with-cuda-cc=80 --with-cuda-runtime=11.7 --enable-openmp \ Here is my make.inc https://drive.google.com/file/d/1HfVtuRXsburug_Ks6wcsSDwrA6m0QHaH/view?usp=sharing The error when I compiled is ftn -O1 -D__FFTW3 -D__CUDA -D__MPI -cuda -gpu=cc80,cuda11.7 -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/src -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/include -acc -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//external/devxlib/src -I. -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//include -I/opt/cray/pe/fftw/3.3.10.3/x86_milan/include -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//upflib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//XClib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//Modules -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//FFTXlib/src -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//LAXlib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//UtilXlib -I/lustrefs/disk/project/thaisc/siwakorn/QE/install/qe-7.2_gpu//MBD -I/lustrefs/disk/project/thaisc/siwakorn/QE/ins tall/qe-7.2_gpu//KS_Solvers -I../../dft-d3/ -c drhoc_tmp.f90 -o drhoc.o NVFORTRAN-F-1225-Unmatched directive END - DATA. (drhoc_tmp.f90: 90) NVFORTRAN/x86-64 Linux 22.7-0: compilation aborted make[2]: *** [../../make.inc:16: drhoc.o] Error 2 make[2]: *** Waiting for unfinished jobs.... any suggestion? ________________________________ Disclaimer: This e-mail and any files transmitted with it may contain confidential and proprietary information of the National Science and Technology Development Agency (NSTDA), Thailand. They are intended solely for the use of the addressed individuals or entities. If you are not the intended recipient, you are required to immediately delete this e-mail and its contents from your system. Any disclosure, distribution, or action based upon the contents of this e-mail is strictly prohibited. Any views or opinions presented in this e-mail are solely those of the sender and do not necessarily represent those of NSTDA. NSTDA does not accept any responsibility for the content of this message or the consequences of any actions taken on the basis of the information provided. NSTDA accepts no liability for any damage caused by any virus or malware which may be inserted in this e-mail during transmission. -------------- next part -------------- An HTML attachment was scrubbed... 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_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
