v0.1 ready to release

Modules/environment.f90

@@ -20,7 +20,7 @@ MODULE environment
       nproc_image
   USE mp_pools,  ONLY: npool
   USE mp_bands,  ONLY: ntask_groups, nproc_bgrp, nbgrp
-  USE global_version, ONLY: version_number, svn_revision
+  USE global_version, ONLY: version_number, svn_revision, gpu_version_number
 
   IMPLICIT NONE
 
@@ -63,8 +63,9 @@ SUBROUTINE environment_start( code )
     CALL start_clock( TRIM(code) )
 
     code_version = TRIM (code) // " v." // TRIM (version_number)
-    IF ( TRIM (svn_revision) /= "unknown" ) code_version = &
-         TRIM (code_version) // " (svn rev. " // TRIM (svn_revision) // ")"
+!    IF ( TRIM (svn_revision) /= "unknown" ) code_version = &
+!         TRIM (code_version) // " (svn rev. " // TRIM (svn_revision) // ")"
+    code_version = TRIM (code_version) // " (gpu tag v" // TRIM (gpu_version_number) // ")"
 
     ! ... for compatibility with PWSCF
 

PW/src/pwscf.f90

@@ -35,8 +35,8 @@ PROGRAM pwscf
 #ifdef USE_CUDA
 !  USE mpiDeviceUtil, ONLY : assignDevice
   USE mpiDeviceUtil, ONLY : assignDevice
-
 #endif
+  !
   IMPLICIT NONE
   CHARACTER(len=256) :: srvaddress
   !! Get the address of the server 
@@ -52,9 +52,11 @@ PROGRAM pwscf
 #ifdef USE_CUDA
   ! This routine assigns a different GPU to each MPI rank in the same server
   CALL assignDevice( dev )
+#if defined(__GPU_DEBUG)
   print *,"Running on GPU dev = ",dev
 #endif
-
+#endif
+  !
   CALL environment_start ( 'PWSCF' )
   !
   CALL read_input_file ('PW', input_file_ )

PW/src/stop_run.f90

@@ -53,7 +53,9 @@ SUBROUTINE stop_run( exit_status )
   CALL clean_pw( .TRUE. )
   !
 #ifdef USE_CUDA
+#if defined(__GPU_DEBUG)
   print *,"calling cudaThreadExit"
+#endif
   istat = cudaThreadExit
   !
 #endif

README.md

@@ -1,4 +1,4 @@
-- [Report new Bug Issue](.github/ISSUE_TEMPLATE.md)
+- [Report new Bug Issue](https://github.com/RSE-Cambridge/qe-gpu/issues/new)
 - [Guidelines for Contributing](CONTRIBUTING.md)
 - [Pull Request Template](.github/PULL_REQUEST_TEMPLATE.md)
 - [Project License](License)