Task 38685621

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5102_0
Workunit 31627082
Created 27 Oct 2026, 22:04:47 UTC
Sent 27 Oct 2026, 22:04:47 UTC
Report deadline 1 Nov 2026, 22:04:47 UTC
Received 27 Oct 2026, 22:26:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 18 min 18 sec
CPU time 17 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.17 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:08:47 (17052): wrapper (7.9.26016): starting
23:08:47 (17052): 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
23:08:48 (17052): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:08:48 (17052): 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:\DataBOINC\slots\0\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:\DataBOINC\slots\0\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
23:26:18 (17052): C:/Windows/system32/cmd.exe exited; CPU time 1025.781250
23:26:18 (17052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 20708371 bytes.
Dumping objects ->
{3835610} normal block at 0x000002A1598054B0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x000002A15B571BC0, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x000002A15B5717A0, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x000002A15B571800, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x000002A15B5718C0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x000002A159805360, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x000002A15B53F050, 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) : {3835521} normal block at 0x000002A1597FE490, 8 bytes long.
 Data: <  {Y&#161;   > 00 00 7B 59 A1 02 00 00 
{3834715} normal block at 0x000002A15B53F100, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002A1597FDEF0, 8 bytes long.
 Data: < &#229;C[&#161;   > 00 E5 43 5B A1 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002A159801D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A1597F6650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002A1598069D0, 16 bytes long.
 Data: <Ho Y&#161;           > 48 6F 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A159806340, 16 bytes long.
 Data: < o Y&#161;           > 20 6F 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A1597FFBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002A159806750, 16 bytes long.
 Data: <&#248;n Y&#161;           > F8 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A159806A70, 16 bytes long.
 Data: <&#208;n Y&#161;           > D0 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A159806980, 16 bytes long.
 Data: <&#168;n Y&#161;           > A8 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A1598064D0, 16 bytes long.
 Data: < n Y&#161;           > 80 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A1598050C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002A159806A20, 16 bytes long.
 Data: <&#216;&#148; Y&#161;           > D8 94 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A1597FFA30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002A159805DF0, 16 bytes long.
 Data: <&#176;&#148; Y&#161;           > B0 94 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A1598065C0, 16 bytes long.
 Data: < &#148; Y&#161;           > 88 94 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A159806660, 16 bytes long.
 Data: <`&#148; Y&#161;           > 60 94 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A159806BB0, 16 bytes long.
 Data: <8&#148; Y&#161;           > 38 94 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A159806250, 16 bytes long.
 Data: < &#148; Y&#161;           > 10 94 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A159806B10, 16 bytes long.
 Data: <&#232;&#147; Y&#161;           > E8 93 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A1597FF850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002A1598067A0, 16 bytes long.
 Data: <&#192;&#147; Y&#161;           > C0 93 7F 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A1597F93C0, 320 bytes long.
 Data: <&#160;g Y&#161;   P&#248; Y&#161;   > A0 67 80 59 A1 02 00 00 50 F8 7F 59 A1 02 00 00 
{276} normal block at 0x000002A159805FD0, 16 bytes long.
 Data: <`n Y&#161;           > 60 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A159806890, 16 bytes long.
 Data: <8n Y&#161;           > 38 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A1597FF910, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002A159806070, 16 bytes long.
 Data: < n Y&#161;           > 10 6E 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A1597FFD30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002A159805C60, 16 bytes long.
 Data: <Xm Y&#161;           > 58 6D 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A159806020, 16 bytes long.
 Data: <0m Y&#161;           > 30 6D 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A159806390, 16 bytes long.
 Data: < m Y&#161;           > 08 6D 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A1598062F0, 16 bytes long.
 Data: <&#224;l Y&#161;           > E0 6C 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A159806480, 16 bytes long.
 Data: <&#184;l Y&#161;           > B8 6C 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A159806570, 16 bytes long.
 Data: < l Y&#161;           > 90 6C 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A159806AC0, 16 bytes long.
 Data: < U Y&#161;           > 20 55 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A159805520, 40 bytes long.
 Data: <&#192;j Y&#161;   `S Y&#161;   > C0 6A 80 59 A1 02 00 00 60 53 80 59 A1 02 00 00 
{262} normal block at 0x000002A159806200, 16 bytes long.
 Data: <pl Y&#161;           > 70 6C 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A159806610, 16 bytes long.
 Data: <Hl Y&#161;           > 48 6C 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A1598003F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002A1598061B0, 16 bytes long.
 Data: < l Y&#161;           > 20 6C 80 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A159806C20, 992 bytes long.
 Data: <&#176;a Y&#161;   &#240;  Y&#161;   > B0 61 80 59 A1 02 00 00 F0 03 80 59 A1 02 00 00 
{94} normal block at 0x000002A1597FF9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002A1597FE3F0, 16 bytes long.
 Data: <&#208;&#246;~Y&#161;           > D0 F6 7E 59 A1 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002A1597EF6D0, 40 bytes long.
 Data: <&#240;&#227; Y&#161;   &#208;&#249; Y&#161;   > F0 E3 7F 59 A1 02 00 00 D0 F9 7F 59 A1 02 00 00 
{71} normal block at 0x000002A1597FD9A0, 16 bytes long.
 Data: < &#234;&#160;&#224;&#247;           > 80 EA A0 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A1597FE120, 16 bytes long.
 Data: <@&#233;&#160;&#224;&#247;           > 40 E9 A0 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A1597FDE00, 16 bytes long.
 Data: <&#248;W &#224;&#247;           > F8 57 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A1597FE2B0, 16 bytes long.
 Data: <&#216;W &#224;&#247;           > D8 57 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A1597FDD60, 16 bytes long.
 Data: <P  &#224;&#247;           > 50 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A1597FE260, 16 bytes long.
 Data: <0  &#224;&#247;           > 30 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A1597FE530, 16 bytes long.
 Data: <&#224;  &#224;&#247;           > E0 02 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A1597FDA40, 16 bytes long.
 Data: <   &#224;&#247;           > 10 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A1597FDCC0, 16 bytes long.
 Data: <p  &#224;&#247;           > 70 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A1597FE210, 16 bytes long.
 Data: < &#192;&#155;&#224;&#247;           > 18 C0 9B E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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