Task 38670122

Name test_908-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7372_0
Workunit 31612394
Created 25 Oct 2026, 16:32:56 UTC
Sent 25 Oct 2026, 16:32:59 UTC
Report deadline 30 Oct 2026, 16:32:59 UTC
Received 25 Oct 2026, 18:26:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652619
Run time 1 hours 34 min 9 sec
CPU time 1 hours 30 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.20 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:49:48 (15048): wrapper (7.9.26016): starting
00:49:48 (15048): 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
00:49:51 (15048): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:49:51 (15048): 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\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:\ProgramData\BOINC\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
02:22:19 (15048): C:/Windows/system32/cmd.exe exited; CPU time 5410.093750
02:22:19 (15048): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 87726619 bytes.
Dumping objects ->
{3835481} normal block at 0x0000021F65DCE5D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000021F641D46A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000021F641D44E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x0000021F641D4400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x0000021F641D4390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x0000021F65DFB750, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835393} normal block at 0x0000021F641CF120, 8 bytes long.
 Data: <   d    > 00 00 17 64 1F 02 00 00 
{3833953} normal block at 0x0000021F641CEC20, 8 bytes long.
 Data: <p(&#237;e    > 70 28 ED 65 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000021F641D0220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021F641C5880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000021F641D5BE0, 16 bytes long.
 Data: <(M d            > 28 4D 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021F641D5190, 16 bytes long.
 Data: < M d            > 00 4D 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021F641CE3E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000021F641D5550, 16 bytes long.
 Data: <&#216;L d            > D8 4C 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021F641D5460, 16 bytes long.
 Data: <&#176;L d            > B0 4C 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021F641D5640, 16 bytes long.
 Data: < L d            > 88 4C 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021F641D4F60, 16 bytes long.
 Data: <`L d            > 60 4C 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021F641D4780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000021F641D5780, 16 bytes long.
 Data: <(&#242; d            > 28 F2 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021F641CDF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000021F641D4EC0, 16 bytes long.
 Data: < &#242; d            > 00 F2 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021F641D5B90, 16 bytes long.
 Data: <&#216;&#241; d            > D8 F1 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021F641D5370, 16 bytes long.
 Data: <&#176;&#241; d            > B0 F1 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021F641D5690, 16 bytes long.
 Data: < &#241; d            > 88 F1 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021F641D5820, 16 bytes long.
 Data: <`&#241; d            > 60 F1 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021F641D51E0, 16 bytes long.
 Data: <8&#241; d            > 38 F1 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021F641CDAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000021F641D5050, 16 bytes long.
 Data: < &#241; d            > 10 F1 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021F641BF110, 320 bytes long.
 Data: <PP d    &#224;&#218; d    > 50 50 1D 64 1F 02 00 00 E0 DA 1C 64 1F 02 00 00 
{272} normal block at 0x0000021F641D4FB0, 16 bytes long.
 Data: <@L d            > 40 4C 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021F641D59B0, 16 bytes long.
 Data: < L d            > 18 4C 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021F641CE200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000021F641D5B40, 16 bytes long.
 Data: <&#240;K d            > F0 4B 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021F641CE980, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000021F641D4F10, 16 bytes long.
 Data: <8K d            > 38 4B 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021F641D5DC0, 16 bytes long.
 Data: < K d            > 10 4B 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F641D52D0, 16 bytes long.
 Data: <&#232;J d            > E8 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021F641CEFE0, 16 bytes long.
 Data: <&#192;J d            > C0 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021F641CF030, 16 bytes long.
 Data: < J d            > 98 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021F641CEEF0, 16 bytes long.
 Data: <pJ d            > 70 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021F641CEEA0, 16 bytes long.
 Data: <&#176;B d            > B0 42 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021F641D42B0, 40 bytes long.
 Data: <&#160;&#238; d    P&#183;&#223;e    > A0 EE 1C 64 1F 02 00 00 50 B7 DF 65 1F 02 00 00 
{258} normal block at 0x0000021F641CEC70, 16 bytes long.
 Data: <PJ d            > 50 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021F641CEBD0, 16 bytes long.
 Data: <(J d            > 28 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021F641CDD80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000021F641CF990, 16 bytes long.
 Data: < J d            > 00 4A 1D 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021F641D4A00, 992 bytes long.
 Data: < &#249; d     &#221; d    > 90 F9 1C 64 1F 02 00 00 80 DD 1C 64 1F 02 00 00 
{90} normal block at 0x0000021F641CDC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000021F641CF440, 16 bytes long.
 Data: < &#224; d            > 20 E0 1B 64 1F 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000021F641BE020, 40 bytes long.
 Data: <@&#244; d     &#220; d    > 40 F4 1C 64 1F 02 00 00 00 DC 1C 64 1F 02 00 00 
{67} normal block at 0x0000021F641CF6C0, 16 bytes long.
 Data: < &#234;&#199;J&#246;           > 80 EA C7 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021F641CF2B0, 16 bytes long.
 Data: <@&#233;&#199;J&#246;           > 40 E9 C7 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021F641CF260, 16 bytes long.
 Data: <&#248;W&#196;J&#246;           > F8 57 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021F641CF670, 16 bytes long.
 Data: <&#216;W&#196;J&#246;           > D8 57 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021F641CF350, 16 bytes long.
 Data: <P &#196;J&#246;           > 50 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021F641CF210, 16 bytes long.
 Data: <0 &#196;J&#246;           > 30 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021F641CF080, 16 bytes long.
 Data: <&#224; &#196;J&#246;           > E0 02 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021F641CF0D0, 16 bytes long.
 Data: <  &#196;J&#246;           > 10 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021F641CF8A0, 16 bytes long.
 Data: <p &#196;J&#246;           > 70 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021F641CF850, 16 bytes long.
 Data: < &#192;&#194;J&#246;           > 18 C0 C2 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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