Task 38680132

Name test_779-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4924_0
Workunit 31621871
Created 26 Oct 2026, 22:55:28 UTC
Sent 26 Oct 2026, 22:55:30 UTC
Report deadline 31 Oct 2026, 22:55:30 UTC
Received 27 Oct 2026, 0:09:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654728
Run time 1 hours 9 min 7 sec
CPU time 1 hours 5 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.03 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:58:42 (2116): wrapper (7.9.26016): starting
17:58:42 (2116): 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
17:58:43 (2116): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:58:43 (2116): 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: Exiting with failure status due to previous errors
19:06:38 (2116): C:/Windows/system32/cmd.exe exited; CPU time 3918.718750
19:06:38 (2116): 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: 51830545 bytes.
Dumping objects ->
{3835276} normal block at 0x0000023F851C4420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000023F851C4B20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000023F851C4AB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000023F851C48F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000023F851C4570, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000023F86DB42E0, 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) : {3835188} normal block at 0x0000023F851C0170, 8 bytes long.
 Data: <   &#133;?   > 00 00 17 85 3F 02 00 00 
{3833957} normal block at 0x0000023F851BFA40, 8 bytes long.
 Data: <&#208;H&#228;&#134;?   > D0 48 E4 86 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023F851C0A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023F851B69B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000023F851C60F0, 16 bytes long.
 Data: <&#184;T &#133;?           > B8 54 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023F851C5B00, 16 bytes long.
 Data: < T &#133;?           > 90 54 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023F851BF080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000023F851C5DD0, 16 bytes long.
 Data: <hT &#133;?           > 68 54 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023F851C5F10, 16 bytes long.
 Data: <@T &#133;?           > 40 54 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023F851C5A10, 16 bytes long.
 Data: < T &#133;?           > 18 54 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023F851C5C90, 16 bytes long.
 Data: <&#240;S &#133;?           > F0 53 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023F851C45E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000023F851C5CE0, 16 bytes long.
 Data: <&#168;&#142; &#133;?           > A8 8E 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023F851BE7E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000023F851C5920, 16 bytes long.
 Data: < &#142; &#133;?           > 80 8E 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023F851C5FB0, 16 bytes long.
 Data: <X&#142; &#133;?           > 58 8E 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023F851C6190, 16 bytes long.
 Data: <0&#142; &#133;?           > 30 8E 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F851C5880, 16 bytes long.
 Data: < &#142; &#133;?           > 08 8E 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023F851C60A0, 16 bytes long.
 Data: <&#224;  &#133;?           > E0 8D 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023F851C5650, 16 bytes long.
 Data: <&#184;  &#133;?           > B8 8D 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023F851BEF00, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x0000023F851C5600, 16 bytes long.
 Data: <   &#133;?           > 90 8D 1B 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023F851B8D90, 320 bytes long.
 Data: < V &#133;?    &#239; &#133;?   > 00 56 1C 85 3F 02 00 00 00 EF 1B 85 3F 02 00 00 
{274} normal block at 0x0000023F851C5AB0, 16 bytes long.
 Data: <&#208;S &#133;?           > D0 53 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023F851C59C0, 16 bytes long.
 Data: <&#168;S &#133;?           > A8 53 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023F851BE4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000023F851C58D0, 16 bytes long.
 Data: < S &#133;?           > 80 53 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023F851BF140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000023F851C61E0, 16 bytes long.
 Data: <&#200;R &#133;?           > C8 52 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F851C5D80, 16 bytes long.
 Data: <&#160;R &#133;?           > A0 52 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023F851C5970, 16 bytes long.
 Data: <xR &#133;?           > 78 52 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023F851C5EC0, 16 bytes long.
 Data: <PR &#133;?           > 50 52 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023F851BFE00, 16 bytes long.
 Data: <(R &#133;?           > 28 52 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023F851BFD10, 16 bytes long.
 Data: < R &#133;?           > 00 52 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023F851BFBD0, 16 bytes long.
 Data: < H &#133;?           > 80 48 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023F851C4880, 40 bytes long.
 Data: <&#208;&#251; &#133;?   &#224;B&#219;&#134;?   > D0 FB 1B 85 3F 02 00 00 E0 42 DB 86 3F 02 00 00 
{260} normal block at 0x0000023F851C00D0, 16 bytes long.
 Data: <&#224;Q &#133;?           > E0 51 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023F851BF9A0, 16 bytes long.
 Data: <&#184;Q &#133;?           > B8 51 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023F851BED80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000023F851C02B0, 16 bytes long.
 Data: < Q &#133;?           > 90 51 1C 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023F851C5190, 992 bytes long.
 Data: <&#176;  &#133;?    &#237; &#133;?   > B0 02 1C 85 3F 02 00 00 80 ED 1B 85 3F 02 00 00 
{92} normal block at 0x0000023F851BE6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000023F851C01C0, 16 bytes long.
 Data: <&#240;&#238; &#133;?           > F0 EE 1A 85 3F 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000023F851AEEF0, 40 bytes long.
 Data: <&#192;  &#133;?   &#192;&#230; &#133;?   > C0 01 1C 85 3F 02 00 00 C0 E6 1B 85 3F 02 00 00 
{69} normal block at 0x0000023F851C0260, 16 bytes long.
 Data: < &#234; z&#246;           > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023F851BF5E0, 16 bytes long.
 Data: <@&#233; z&#246;           > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023F851C03F0, 16 bytes long.
 Data: <&#248;W z&#246;           > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023F851BFA90, 16 bytes long.
 Data: <&#216;W z&#246;           > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023F851BFE50, 16 bytes long.
 Data: <P  z&#246;           > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023F851BF6D0, 16 bytes long.
 Data: <0  z&#246;           > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023F851BF4F0, 16 bytes long.
 Data: <&#224;  z&#246;           > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023F851BFEA0, 16 bytes long.
 Data: <   z&#246;           > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023F851BF9F0, 16 bytes long.
 Data: <p  z&#246;           > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023F851BF680, 16 bytes long.
 Data: < &#192; z&#246;           > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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