Task 38670735

Name test_908-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7372_0
Workunit 31612964
Created 25 Oct 2026, 18:27:08 UTC
Sent 25 Oct 2026, 18:27:11 UTC
Report deadline 30 Oct 2026, 18:27:11 UTC
Received 25 Oct 2026, 19:50:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 4 min 8 sec
CPU time 59 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.23 MB
Peak swap size 9.74 GB
Peak disk usage 4.16 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:46:53 (25836): wrapper (7.9.26016): starting
11:46:53 (25836): 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
11:46:55 (25836): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:46:55 (25836): 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
12:49:04 (25836): C:/Windows/system32/cmd.exe exited; CPU time 3596.843750
12:49:04 (25836): 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: 74951733 bytes.
Dumping objects ->
{3835195} normal block at 0x0000014B134DE560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000014B134DE4F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000014B134DE100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x0000014B117D54F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000014B117D5B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x0000014B135C75E0, 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) : {3835107} normal block at 0x0000014B117CF3C0, 8 bytes long.
 Data: <  &#199; K   > 00 00 C7 11 4B 01 00 00 
{3833957} normal block at 0x0000014B117CF9B0, 8 bytes long.
 Data: < M} K   > 90 4D 7D 11 4B 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000014B117D1570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014B117BEF70, 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 0x0000014B117D6240, 16 bytes long.
 Data: <&#168;`} K           > A8 60 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014B117D70F0, 16 bytes long.
 Data: < `} K           > 80 60 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014B117D0780, 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 0x0000014B117D6BF0, 16 bytes long.
 Data: <X`} K           > 58 60 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014B117D7050, 16 bytes long.
 Data: <0`} K           > 30 60 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014B117D6B50, 16 bytes long.
 Data: < `} K           > 08 60 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014B117D6FB0, 16 bytes long.
 Data: <&#224;_} K           > E0 5F 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014B117D56B0, 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 0x0000014B117D6D30, 16 bytes long.
 Data: <&#168;&#181;{ K           > A8 B5 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014B117D0B40, 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 0x0000014B117D6C40, 16 bytes long.
 Data: < &#181;{ K           > 80 B5 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014B117D6650, 16 bytes long.
 Data: <X&#181;{ K           > 58 B5 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014B117D6BA0, 16 bytes long.
 Data: <0&#181;{ K           > 30 B5 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014B117D63D0, 16 bytes long.
 Data: < &#181;{ K           > 08 B5 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014B117D6CE0, 16 bytes long.
 Data: <&#224;&#180;{ K           > E0 B4 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014B117D6EC0, 16 bytes long.
 Data: <&#184;&#180;{ K           > B8 B4 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014B117D0A80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000014B117D6AB0, 16 bytes long.
 Data: < &#180;{ K           > 90 B4 7B 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014B117BB490, 320 bytes long.
 Data: <&#176;j} K     } K   > B0 6A 7D 11 4B 01 00 00 80 0A 7D 11 4B 01 00 00 
{274} normal block at 0x0000014B117D6F60, 16 bytes long.
 Data: <&#192;_} K           > C0 5F 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014B117D6E70, 16 bytes long.
 Data: < _} K           > 98 5F 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014B117D0AE0, 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 0x0000014B117D61F0, 16 bytes long.
 Data: <p_} K           > 70 5F 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014B117D0360, 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 0x0000014B117D65B0, 16 bytes long.
 Data: <&#184;^} K           > B8 5E 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014B117D6E20, 16 bytes long.
 Data: < ^} K           > 90 5E 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014B117D7140, 16 bytes long.
 Data: <h^} K           > 68 5E 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014B117D6830, 16 bytes long.
 Data: <@^} K           > 40 5E 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014B117D6F10, 16 bytes long.
 Data: < ^} K           > 18 5E 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014B117CF6E0, 16 bytes long.
 Data: <&#240;]} K           > F0 5D 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014B117CF500, 16 bytes long.
 Data: < T} K           > 80 54 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014B117D5480, 40 bytes long.
 Data: < &#245;| K   &#224;u\ K   > 00 F5 7C 11 4B 01 00 00 E0 75 5C 13 4B 01 00 00 
{260} normal block at 0x0000014B117CF640, 16 bytes long.
 Data: <&#208;]} K           > D0 5D 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014B117CF4B0, 16 bytes long.
 Data: <&#168;]} K           > A8 5D 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014B117D01E0, 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 0x0000014B117CFBE0, 16 bytes long.
 Data: < ]} K           > 80 5D 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014B117D5D80, 992 bytes long.
 Data: <&#224;&#251;| K   &#224; } K   > E0 FB 7C 11 4B 01 00 00 E0 01 7D 11 4B 01 00 00 
{92} normal block at 0x0000014B117D09C0, 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 0x0000014B117CF2D0, 16 bytes long.
 Data: <&#224;X} K           > E0 58 7D 11 4B 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000014B117D58E0, 40 bytes long.
 Data: <&#208;&#242;| K   &#192;	} K   > D0 F2 7C 11 4B 01 00 00 C0 09 7D 11 4B 01 00 00 
{69} normal block at 0x0000014B117CFF00, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014B117CFD20, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014B117CF910, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014B117CF5F0, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014B117CFA00, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014B117CFB90, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014B117CF050, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014B117CFEB0, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014B117CFCD0, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014B117CF730, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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