Mohamed Elhanoty

Hi Kay, Thanks for the reply and suggestion. It indeed worked. Best regards

Dear Elk community, I try to compile elk-8.8.26 on my local computer using the gfortran compiler (version 11.3.0) on Ubuntu 11.3.0-1ubuntu1~22.04.1 but it fails due to some errors in routines related to the type of the variables. For example, hartfock.f90:199:17: 123 | call mpi_bcast(evalsv(:,ik),nstsv,mpi_double_precision,lp,mpicom,ierror) | 2 ...... 199 | call mpi_bcast(tlast,1,mpi_logical,0,mpicom,ierror) | 1 Error: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8))....

Dear Elk community, I try to compile elk-8.8.26 on my local computer using the gnufortran compiler (version 11.3.0) on Ubuntu 11.3.0-1ubuntu1~22.04.1 but it fails due to some errors in routines related to the type of the variables. For example, hartfock.f90:199:17: 123 | call mpi_bcast(evalsv(:,ik),nstsv,mpi_double_precision,lp,mpicom,ierror) | 2 ...... 199 | call mpi_bcast(tlast,1,mpi_logical,0,mpicom,ierror) | 1 Error: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8))....

Dear Elk community, I try to compile elk-8.8.26 on my local computer using the gnufortran compiler (version 11.3.0) on Ubuntu 11.3.0-1ubuntu1~22.04.1 but it fails due to some errors in routines related to the type of the variables. For example, hartfock.f90:199:17: 123 | call mpi_bcast(evalsv(:,ik),nstsv,mpi_double_precision,lp,mpicom,ierror) | 2 ...... 199 | call mpi_bcast(tlast,1,mpi_logical,0,mpicom,ierror) | 1 Error: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/REAL(8))....

Dear Zhaobo, yes, just run task 461

Dear all, I have a problem with resuming the tddft calculations using task 461 in the latest version of elk (7.2). The problem emerge when I run the task in paralllel but is normally working if I run it without mpi parallezation. Kindly find attached the error file I get. Here is the make commands I used: MAKE = make F90 = mpiifort F90_OPTS = -O3 -xHost -ftz -fp-speculation=safe -fp-model source -fopenmp -mt_mpi F77 = mpiifort F77_OPTS = -O3 -xHost -ftz -fp-speculation=safe -fp-model source -fopenmp...

Dear all, I have a problem with resuming the tddft calculations using task 461 in the latest version of elk (7.2). The problem emerge when I run the task in paralllel but is normally working if I run it without mpi parallezation. Kindly find attached the error file I get. Here is the make commands I used: MAKE = make F90 = mpiifort F90_OPTS = -O3 -xHost -ftz -fp-speculation=safe -fp-model source -fopenmp -mt_mpi F77 = mpiifort F77_OPTS = -O3 -xHost -ftz -fp-speculation=safe -fp-model source -fopenmp...