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sharc-md / sharc

The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.
https://www.sharc-md.org
GNU General Public License v3.0
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Error during Sharc install #60

Open tanoury1 opened 1 year ago

tanoury1 commented 1 year ago

Hi, I am installing v3.0.1 using Intel 2021.4 on a Linux system running GNU 10.3.0. I am getting the following errors when running "make" from the source directory:

[tanoury@hpchead2:source]$ make Updating "build_info.inc" ifort -O3 -fPIC -g -c definitions.F90 definitions.F90(85): warning #6379: The structure contains one or more misaligned fields. [AUX_TRAJECTORY_TYPE] type aux_trajectory_type -----^ definitions.F90(123): warning #6379: The structure contains one or more misaligned fields. [TRAJECTORY_TYPE] type trajectory_type -----^ definitions.F90(352): warning #6379: The structure contains one or more misaligned fields. [CTRL_TYPE] type ctrl_type -----^ ifort -O3 -fPIC -g -c matrix.f90 ifort -O3 -fPIC -g -c string.f90 ifort -O3 -fPIC -g -c input_list.f90 ifort -O3 -fPIC -g -c misc.f90 misc.f90(180): error #6404: This name does not have a type, and must have an explicit type. [RAND] seed=int(65536*(rand()-0.5d0)) ----------------------^ compilation aborted for misc.f90 (code 1) make: *** [misc.o] Error 1

Thank you so much for your help.

Kind regards, Jerry

markusoppel commented 1 year ago

Hi Jerry,

I made some small modifications in the code to satisfy the new Intel compilers. Just get the latest version of the main branch and try again the compilation with ifort. Cheers, Markus

tanoury1 commented 1 year ago

Thank you Markus. It worked!

Best regards, Jerry

On Thu, Jul 6, 2023 at 1:20 PM Markus Oppel @.***> wrote:

Hi Jerry,

I made some small modifications in the code to satisfy the new Intel compilers. Just get the latest version of the main branch and try again the compilation with ifort. Cheers, Markus

— Reply to this email directly, view it on GitHub https://github.com/sharc-md/sharc/issues/60#issuecomment-1624038611, or unsubscribe https://github.com/notifications/unsubscribe-auth/AOA2OYQSF7MA4R2LK7D4HODXO3XWDANCNFSM6AAAAAA2AVR5C4 . You are receiving this because you authored the thread.Message ID: @.***>