Task 38680041

Name test_502-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4577_0
Workunit 31621787
Created 26 Oct 2026, 22:36:03 UTC
Sent 26 Oct 2026, 22:36:07 UTC
Report deadline 31 Oct 2026, 22:36:07 UTC
Received 26 Oct 2026, 22:54:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609285
Run time 17 min 40 sec
CPU time 16 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 111,632.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.89 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:37:08 (39916): wrapper (7.9.26016): starting
15:37:08 (39916): 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
15:37:09 (39916): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:37:09 (39916): 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\28\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\28\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
15:53:57 (39916): C:/Windows/system32/cmd.exe exited; CPU time 993.781250
15:53:57 (39916): 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: 22006671 bytes.
Dumping objects ->
{3835205} normal block at 0x000001C9EDA05040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001C9EDA04FD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001C9EDA04F60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x000001C9EDA04DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001C9EDA04D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000001C9EF7C6960, 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) : {3835117} normal block at 0x000001C9ED9FD410, 8 bytes long.
 Data: <  &#238;&#237;&#201;   > 00 00 EE ED C9 01 00 00 
{3833967} normal block at 0x000001C9ED9FD3C0, 8 bytes long.
 Data: < F&#160;&#237;&#201;   > 20 46 A0 ED C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C9EDA01AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C9ED9F5FB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001C9EDA058A0, 16 bytes long.
 Data: <&#248;i&#160;&#237;&#201;           > F8 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C9EDA05CB0, 16 bytes long.
 Data: <&#208;i&#160;&#237;&#201;           > D0 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C9ED9FF250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001C9EDA06020, 16 bytes long.
 Data: <&#168;i&#160;&#237;&#201;           > A8 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C9EDA05DF0, 16 bytes long.
 Data: < i&#160;&#237;&#201;           > 80 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C9EDA06070, 16 bytes long.
 Data: <Xi&#160;&#237;&#201;           > 58 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C9EDA05F30, 16 bytes long.
 Data: <0i&#160;&#237;&#201;           > 30 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C9EDA04E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001C9EDA06390, 16 bytes long.
 Data: <&#168;&#183;&#158;&#237;&#201;           > A8 B7 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C9ED9FF430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001C9EDA05A80, 16 bytes long.
 Data: < &#183;&#158;&#237;&#201;           > 80 B7 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C9EDA05710, 16 bytes long.
 Data: <X&#183;&#158;&#237;&#201;           > 58 B7 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C9EDA05FD0, 16 bytes long.
 Data: <0&#183;&#158;&#237;&#201;           > 30 B7 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C9EDA06570, 16 bytes long.
 Data: < &#183;&#158;&#237;&#201;           > 08 B7 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C9EDA05C60, 16 bytes long.
 Data: <&#224;&#182;&#158;&#237;&#201;           > E0 B6 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C9EDA06340, 16 bytes long.
 Data: <&#184;&#182;&#158;&#237;&#201;           > B8 B6 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C9ED9FF670, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001C9EDA05940, 16 bytes long.
 Data: < &#182;&#158;&#237;&#201;           > 90 B6 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C9ED9EB690, 320 bytes long.
 Data: <@Y&#160;&#237;&#201;   p&#246;&#159;&#237;&#201;   > 40 59 A0 ED C9 01 00 00 70 F6 9F ED C9 01 00 00 
{279} normal block at 0x000001C9EDA06200, 16 bytes long.
 Data: < i&#160;&#237;&#201;           > 10 69 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C9EDA057B0, 16 bytes long.
 Data: <&#232;h&#160;&#237;&#201;           > E8 68 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C9ED9FFA30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001C9EDA05850, 16 bytes long.
 Data: <&#192;h&#160;&#237;&#201;           > C0 68 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C9ED9FF730, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001C9EDA05B20, 16 bytes long.
 Data: < h&#160;&#237;&#201;           > 08 68 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C9EDA059E0, 16 bytes long.
 Data: <&#224;g&#160;&#237;&#201;           > E0 67 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C9EDA061B0, 16 bytes long.
 Data: <&#184;g&#160;&#237;&#201;           > B8 67 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C9EDA06660, 16 bytes long.
 Data: < g&#160;&#237;&#201;           > 90 67 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C9EDA05EE0, 16 bytes long.
 Data: <hg&#160;&#237;&#201;           > 68 67 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C9EDA05DA0, 16 bytes long.
 Data: <@g&#160;&#237;&#201;           > 40 67 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C9EDA05F80, 16 bytes long.
 Data: < Q&#160;&#237;&#201;           > 20 51 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C9EDA05120, 40 bytes long.
 Data: < _&#160;&#237;&#201;   `i|&#239;&#201;   > 80 5F A0 ED C9 01 00 00 60 69 7C EF C9 01 00 00 
{265} normal block at 0x000001C9EDA060C0, 16 bytes long.
 Data: < g&#160;&#237;&#201;           > 20 67 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C9EDA05800, 16 bytes long.
 Data: <&#248;f&#160;&#237;&#201;           > F8 66 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C9ED9FFA90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001C9EDA05AD0, 16 bytes long.
 Data: <&#208;f&#160;&#237;&#201;           > D0 66 A0 ED C9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C9EDA066D0, 992 bytes long.
 Data: <&#208;Z&#160;&#237;&#201;    &#250;&#159;&#237;&#201;   > D0 5A A0 ED C9 01 00 00 90 FA 9F ED C9 01 00 00 
{97} normal block at 0x000001C9ED9FF9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001C9ED9FDB40, 16 bytes long.
 Data: <`&#201;&#158;&#237;&#201;           > 60 C9 9E ED C9 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001C9ED9EC960, 40 bytes long.
 Data: <@&#219;&#159;&#237;&#201;   &#208;&#249;&#159;&#237;&#201;   > 40 DB 9F ED C9 01 00 00 D0 F9 9F ED C9 01 00 00 
{74} normal block at 0x000001C9ED9FD370, 16 bytes long.
 Data: < &#234;.)&#246;           > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C9ED9FDAF0, 16 bytes long.
 Data: <@&#233;.)&#246;           > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C9ED9FD870, 16 bytes long.
 Data: <&#248;W+)&#246;           > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C9ED9FDAA0, 16 bytes long.
 Data: <&#216;W+)&#246;           > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C9ED9FD690, 16 bytes long.
 Data: <P +)&#246;           > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C9ED9FDF00, 16 bytes long.
 Data: <0 +)&#246;           > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C9ED9FDA50, 16 bytes long.
 Data: <&#224; +)&#246;           > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C9ED9FD730, 16 bytes long.
 Data: <  +)&#246;           > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C9ED9FD320, 16 bytes long.
 Data: <p +)&#246;           > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C9ED9FDBE0, 16 bytes long.
 Data: < &#192;))&#246;           > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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