Task 38654711

Name test_543-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND1458_1
Workunit 31597691
Created 24 Oct 2026, 7:47:22 UTC
Sent 24 Oct 2026, 7:49:32 UTC
Report deadline 29 Oct 2026, 7:49:32 UTC
Received 24 Oct 2026, 9:34:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630396
Run time 1 hours 7 min 56 sec
CPU time 1 hours 2 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,956.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.19 MB
Peak swap size 9.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:29:59 (40656): wrapper (7.9.26016): starting
10:29:59 (40656): 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
10:30:01 (40656): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:30:01 (40656): 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\22\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\22\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
11:34:15 (40656): C:/Windows/system32/cmd.exe exited; CPU time 3720.953125
11:34:15 (40656): 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: 72844927 bytes.
Dumping objects ->
{3835467} normal block at 0x000001C150305BC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001C150305DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x000001C150305AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835434} normal block at 0x000001C150306100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835423} normal block at 0x000001C150306020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835392} normal block at 0x000001C1520EA830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x000001C1520FEAE0, 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) : {3835378} normal block at 0x000001C1502FE650, 8 bytes long.
 Data: <   P&#193;   > 00 00 7F 50 C1 01 00 00 
{3834657} normal block at 0x000001C1520FDF30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001C1502FEC90, 8 bytes long.
 Data: < &#235;=P&#193;   > 00 EB 3D 50 C1 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C150300CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C1502EE1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C1503043D0, 16 bytes long.
 Data: <(Y0P&#193;           > 28 59 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C150304CE0, 16 bytes long.
 Data: < Y0P&#193;           > 00 59 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C1502FF820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C1503048D0, 16 bytes long.
 Data: <&#216;X0P&#193;           > D8 58 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C150304790, 16 bytes long.
 Data: <&#176;X0P&#193;           > B0 58 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C1503046F0, 16 bytes long.
 Data: < X0P&#193;           > 88 58 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C1503046A0, 16 bytes long.
 Data: <`X0P&#193;           > 60 58 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C150305E60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C150304380, 16 bytes long.
 Data: <&#216;&#249;.P&#193;           > D8 F9 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C1502FFD60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C150304BF0, 16 bytes long.
 Data: <&#176;&#249;.P&#193;           > B0 F9 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C150304330, 16 bytes long.
 Data: < &#249;.P&#193;           > 88 F9 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C150304600, 16 bytes long.
 Data: <`&#249;.P&#193;           > 60 F9 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C1503045B0, 16 bytes long.
 Data: <8&#249;.P&#193;           > 38 F9 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C150304B50, 16 bytes long.
 Data: < &#249;.P&#193;           > 10 F9 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C150304970, 16 bytes long.
 Data: <&#232;&#248;.P&#193;           > E8 F8 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C1502FF520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C1503050A0, 16 bytes long.
 Data: <&#192;&#248;.P&#193;           > C0 F8 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C1502EF8C0, 320 bytes long.
 Data: <&#160;P0P&#193;    &#245;/P&#193;   > A0 50 30 50 C1 01 00 00 20 F5 2F 50 C1 01 00 00 
{275} normal block at 0x000001C150304A60, 16 bytes long.
 Data: <@X0P&#193;           > 40 58 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C150304880, 16 bytes long.
 Data: < X0P&#193;           > 18 58 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C1502FF160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C150305000, 16 bytes long.
 Data: <&#240;W0P&#193;           > F0 57 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C1502FF700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C150304DD0, 16 bytes long.
 Data: <8W0P&#193;           > 38 57 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C150304650, 16 bytes long.
 Data: < W0P&#193;           > 10 57 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C150304560, 16 bytes long.
 Data: <&#232;V0P&#193;           > E8 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C150304E20, 16 bytes long.
 Data: <&#192;V0P&#193;           > C0 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C150304470, 16 bytes long.
 Data: < V0P&#193;           > 98 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C150304830, 16 bytes long.
 Data: <pV0P&#193;           > 70 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C150305050, 16 bytes long.
 Data: <&#224;&#252;.P&#193;           > E0 FC 2E 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C1502EFCE0, 40 bytes long.
 Data: <PP0P&#193;   0&#168; R&#193;   > 50 50 30 50 C1 01 00 00 30 A8 0E 52 C1 01 00 00 
{261} normal block at 0x000001C1503044C0, 16 bytes long.
 Data: <PV0P&#193;           > 50 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C150304740, 16 bytes long.
 Data: <(V0P&#193;           > 28 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C1502FF220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C150304BA0, 16 bytes long.
 Data: < V0P&#193;           > 00 56 30 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C150305600, 992 bytes long.
 Data: <&#160;K0P&#193;    &#242;/P&#193;   > A0 4B 30 50 C1 01 00 00 20 F2 2F 50 C1 01 00 00 
{93} normal block at 0x000001C1502FF4C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C1502FE600, 16 bytes long.
 Data: <&#192;&#223;/P&#193;           > C0 DF 2F 50 C1 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C1502FDFC0, 40 bytes long.
 Data: < &#230;/P&#193;   &#192;&#244;/P&#193;   > 00 E6 2F 50 C1 01 00 00 C0 F4 2F 50 C1 01 00 00 
{70} normal block at 0x000001C1502FE970, 16 bytes long.
 Data: < &#234;&#233;&#244;&#247;           > 80 EA E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C1502FF0A0, 16 bytes long.
 Data: <@&#233;&#233;&#244;&#247;           > 40 E9 E9 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C1502FE4C0, 16 bytes long.
 Data: <&#248;W&#230;&#244;&#247;           > F8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C1502FE240, 16 bytes long.
 Data: <&#216;W&#230;&#244;&#247;           > D8 57 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C1502FE150, 16 bytes long.
 Data: <P &#230;&#244;&#247;           > 50 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C1502FE2E0, 16 bytes long.
 Data: <0 &#230;&#244;&#247;           > 30 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C1502FEAB0, 16 bytes long.
 Data: <&#224; &#230;&#244;&#247;           > E0 02 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C1502FE5B0, 16 bytes long.
 Data: <  &#230;&#244;&#247;           > 10 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C1502FEF10, 16 bytes long.
 Data: <p &#230;&#244;&#247;           > 70 04 E6 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C1502FE420, 16 bytes long.
 Data: < &#192;&#228;&#244;&#247;           > 18 C0 E4 F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra