Task 38685571

Name test_285-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8717_0
Workunit 31627034
Created 27 Oct 2026, 21:46:40 UTC
Sent 27 Oct 2026, 21:46:43 UTC
Report deadline 1 Nov 2026, 21:46:43 UTC
Received 27 Oct 2026, 22:45:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 27 min 48 sec
CPU time 24 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.74 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:08:22 (18108): wrapper (7.9.26016): starting
07:08:22 (18108): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:08:24 (18108): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:08:24 (18108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\28\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\28\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
07:34:29 (18108): C:/Windows/system32/cmd.exe exited; CPU time 1490.125000
07:34:29 (18108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 27617255 bytes.
Dumping objects ->
{3835370} normal block at 0x000001E2756BED80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835359} normal block at 0x000001E2756BF330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x000001E2756BF250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835337} normal block at 0x000001E2756BF020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x000001E2756BF1E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835295} normal block at 0x000001E27764F7A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x000001E277663800, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835281} normal block at 0x000001E27568D7D0, 8 bytes long.
 Data: <   u    > 00 00 85 75 E2 01 00 00 
{3834663} normal block at 0x000001E277663490, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001E27568E090, 8 bytes long.
 Data: <P Uw    > 50 EA 55 77 E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E27569C4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E275682330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001E275699A30, 16 bytes long.
 Data: <&#216;&#166;iu            > D8 A6 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E275699990, 16 bytes long.
 Data: <&#176;&#166;iu            > B0 A6 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E2756958B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001E275699620, 16 bytes long.
 Data: < &#166;iu            > 88 A6 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E27569A250, 16 bytes long.
 Data: <`&#166;iu            > 60 A6 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E275699F30, 16 bytes long.
 Data: <8&#166;iu            > 38 A6 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E27569A1B0, 16 bytes long.
 Data: < &#166;iu            > 10 A6 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E275694090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001E275699D00, 16 bytes long.
 Data: <&#184; hu            > B8 EE 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E2756951F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001E275699DA0, 16 bytes long.
 Data: <  hu            > 90 EE 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E27569A160, 16 bytes long.
 Data: <h hu            > 68 EE 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E2756998A0, 16 bytes long.
 Data: <@ hu            > 40 EE 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E275699530, 16 bytes long.
 Data: <  hu            > 18 EE 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E275699BC0, 16 bytes long.
 Data: <  hu            > F0 ED 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E275699940, 16 bytes long.
 Data: <&#200; hu            > C8 ED 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E275695790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001E2756994E0, 16 bytes long.
 Data: <  hu            > A0 ED 68 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E27568EDA0, 320 bytes long.
 Data: <  iu     Wiu    > E0 94 69 75 E2 01 00 00 90 57 69 75 E2 01 00 00 
{277} normal block at 0x000001E275699670, 16 bytes long.
 Data: < &#165;iu            > F0 A5 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E2756999E0, 16 bytes long.
 Data: <&#200;&#165;iu            > C8 A5 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E275695250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001E27569A2A0, 16 bytes long.
 Data: < &#165;iu            > A0 A5 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E2756950D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001E27569A0C0, 16 bytes long.
 Data: < &#164;iu            > E8 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E275699B70, 16 bytes long.
 Data: <&#192;&#164;iu            > C0 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E27569A070, 16 bytes long.
 Data: < &#164;iu            > 98 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E275699490, 16 bytes long.
 Data: <p&#164;iu            > 70 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E2756998F0, 16 bytes long.
 Data: <H&#164;iu            > 48 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E275699440, 16 bytes long.
 Data: < &#164;iu            > 20 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E275699580, 16 bytes long.
 Data: <&#192;;iu            > C0 3B 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E275693BC0, 40 bytes long.
 Data: <  iu      dw    > 80 95 69 75 E2 01 00 00 A0 F7 64 77 E2 01 00 00 
{263} normal block at 0x000001E275699B20, 16 bytes long.
 Data: < &#164;iu            > 00 A4 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E275699A80, 16 bytes long.
 Data: <&#216;&#163;iu            > D8 A3 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E275695010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001E27569A110, 16 bytes long.
 Data: <&#176;&#163;iu            > B0 A3 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E27569A3B0, 992 bytes long.
 Data: < &#161;iu     Piu    > 10 A1 69 75 E2 01 00 00 10 50 69 75 E2 01 00 00 
{95} normal block at 0x000001E2756953D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001E27568D320, 16 bytes long.
 Data: < Aiu            > E0 41 69 75 E2 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E2756941E0, 40 bytes long.
 Data: < &#211;hu    &#208;Siu    > 20 D3 68 75 E2 01 00 00 D0 53 69 75 E2 01 00 00 
{70} normal block at 0x000001E27568D870, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E27568D460, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E27568DFF0, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E27568D140, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E27568DF00, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E27568D5F0, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E27568D780, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E27568DDC0, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E27568DBE0, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E27568D1E0, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra