Task 38682050

Name test_164-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4234_0
Workunit 31623685
Created 27 Oct 2026, 6:21:53 UTC
Sent 27 Oct 2026, 6:22:03 UTC
Report deadline 1 Nov 2026, 6:22:03 UTC
Received 27 Oct 2026, 7:19:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 16 min 49 sec
CPU time 15 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.79 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:02:33 (54924): wrapper (7.9.26016): starting
02:02:33 (54924): 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
02:02:34 (54924): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:02:34 (54924): 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
02:19:06 (54924): C:/Windows/system32/cmd.exe exited; CPU time 944.890625
02:19:06 (54924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21369297 bytes.
Dumping objects ->
{3835289} normal block at 0x000002757A0F5720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000002757A0F55D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002757A0F5560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x000002757A0F53A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000002757A0F5950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x000002757BDB8A30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000002757A14E270, 135 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) : {3835200} normal block at 0x000002757A0F0A00, 8 bytes long.
 Data: <  hzu   > 00 00 68 7A 75 02 00 00 
{3834577} normal block at 0x000002757A14DF30, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002757A0F0A50, 8 bytes long.
 Data: < L zu   > 20 4C 0F 7A 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002757A0F1420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002757A0E74B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002757A0F6910, 16 bytes long.
 Data: <X_ zu           > 58 5F 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002757A0F6A00, 16 bytes long.
 Data: <0_ zu           > 30 5F 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002757A0EF080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002757A0F6E10, 16 bytes long.
 Data: < _ zu           > 08 5F 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002757A0F6460, 16 bytes long.
 Data: <&#224;^ zu           > E0 5E 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002757A0F6B90, 16 bytes long.
 Data: <&#184;^ zu           > B8 5E 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002757A0F6AF0, 16 bytes long.
 Data: < ^ zu           > 90 5E 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002757A0F5800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002757A0F6320, 16 bytes long.
 Data: < &#181; zu           > 08 B5 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002757A0EFB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002757A0F6B40, 16 bytes long.
 Data: <&#224;&#180; zu           > E0 B4 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002757A0F69B0, 16 bytes long.
 Data: <&#184;&#180; zu           > B8 B4 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002757A0F68C0, 16 bytes long.
 Data: < &#180; zu           > 90 B4 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002757A0F6A50, 16 bytes long.
 Data: <h&#180; zu           > 68 B4 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002757A0F6EB0, 16 bytes long.
 Data: <@&#180; zu           > 40 B4 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002757A0F6550, 16 bytes long.
 Data: < &#180; zu           > 18 B4 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002757A0EFAA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002757A0F6280, 16 bytes long.
 Data: <&#240;&#179; zu           > F0 B3 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002757A0DB3F0, 320 bytes long.
 Data: < b zu   &#160;&#250; zu   > 80 62 0F 7A 75 02 00 00 A0 FA 0E 7A 75 02 00 00 
{273} normal block at 0x000002757A0F6190, 16 bytes long.
 Data: <p^ zu           > 70 5E 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002757A0F6960, 16 bytes long.
 Data: <H^ zu           > 48 5E 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002757A0EFA40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002757A0F6AA0, 16 bytes long.
 Data: < ^ zu           > 20 5E 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002757A0EF0E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002757A0F6C30, 16 bytes long.
 Data: <h] zu           > 68 5D 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002757A0F6C80, 16 bytes long.
 Data: <@] zu           > 40 5D 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002757A0F6140, 16 bytes long.
 Data: < ] zu           > 18 5D 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002757A0F60A0, 16 bytes long.
 Data: <&#240;\ zu           > F0 5C 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002757A0F08C0, 16 bytes long.
 Data: <&#200;\ zu           > C8 5C 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002757A0F0640, 16 bytes long.
 Data: <&#160;\ zu           > A0 5C 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002757A0F0000, 16 bytes long.
 Data: <@V zu           > 40 56 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002757A0F5640, 40 bytes long.
 Data: <   zu   0&#138;&#219;{u   > 00 00 0F 7A 75 02 00 00 30 8A DB 7B 75 02 00 00 
{259} normal block at 0x000002757A0F0550, 16 bytes long.
 Data: < \ zu           > 80 5C 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002757A0F03C0, 16 bytes long.
 Data: <X\ zu           > 58 5C 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002757A0EF140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002757A0F0E10, 16 bytes long.
 Data: <0\ zu           > 30 5C 0F 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002757A0F5C30, 992 bytes long.
 Data: <   zu   @&#241; zu   > 10 0E 0F 7A 75 02 00 00 40 F1 0E 7A 75 02 00 00 
{91} normal block at 0x000002757A0EF620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002757A0F00F0, 16 bytes long.
 Data: <&#224;&#198; zu           > E0 C6 0D 7A 75 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002757A0DC6E0, 40 bytes long.
 Data: <&#240;  zu    &#246; zu   > F0 00 0F 7A 75 02 00 00 20 F6 0E 7A 75 02 00 00 
{68} normal block at 0x000002757A0F0E60, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002757A0F0D70, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002757A0F04B0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002757A0F0370, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002757A0F0D20, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002757A0F0870, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002757A0F0280, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002757A0F0960, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002757A0F0820, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002757A0F0B40, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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