Task 38686076

Name test_34-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9539_0
Workunit 31627523
Created 28 Oct 2026, 0:34:16 UTC
Sent 28 Oct 2026, 0:34:20 UTC
Report deadline 2 Nov 2026, 0:34:20 UTC
Received 28 Oct 2026, 3:17:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 8 min 7 sec
CPU time 1 hours 1 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.16 MB
Peak swap size 6.93 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:10:17 (20252): wrapper (7.9.26016): starting
19:10:17 (20252): 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
19:10:24 (20252): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:10:24 (20252): 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
20:16:47 (20252): C:/Windows/system32/cmd.exe exited; CPU time 3699.781250
20:16:47 (20252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 64239527 bytes.
Dumping objects ->
{3835449} normal block at 0x0000025DB0A3A790, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000025DB0A14120, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000025DB0A14510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000025DB0A14580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000025DB0A14430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000025DB274BC20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000025DB0A6C460, 140 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) : {3835360} normal block at 0x0000025DB0A0F5C0, 8 bytes long.
 Data: <  &#228;&#176;]   > 00 00 E4 B0 5D 02 00 00 
{3834646} normal block at 0x0000025DB0A6CC80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000025DB0A0F750, 8 bytes long.
 Data: <&#176;&#140;&#163;&#176;]   > B0 8C A3 B0 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000025DB0A10120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025DB0A058E0, 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 0x0000025DB0A15550, 16 bytes long.
 Data: <hI&#161;&#176;]           > 68 49 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025DB0A14DD0, 16 bytes long.
 Data: <@I&#161;&#176;]           > 40 49 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025DB0A0E120, 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 0x0000025DB0A15050, 16 bytes long.
 Data: < I&#161;&#176;]           > 18 49 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025DB0A15780, 16 bytes long.
 Data: <&#240;H&#161;&#176;]           > F0 48 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025DB0A14F60, 16 bytes long.
 Data: <&#200;H&#161;&#176;]           > C8 48 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025DB0A15820, 16 bytes long.
 Data: <&#160;H&#161;&#176;]           > A0 48 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025DB0A14350, 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 0x0000025DB0A14C40, 16 bytes long.
 Data: < &#133;&#160;&#176;]           > 08 85 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025DB0A0E900, 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 0x0000025DB0A14BF0, 16 bytes long.
 Data: <&#224;&#132;&#160;&#176;]           > E0 84 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025DB0A14D30, 16 bytes long.
 Data: <&#184;&#132;&#160;&#176;]           > B8 84 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025DB0A14B00, 16 bytes long.
 Data: < &#132;&#160;&#176;]           > 90 84 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025DB0A14BA0, 16 bytes long.
 Data: <h&#132;&#160;&#176;]           > 68 84 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025DB0A15320, 16 bytes long.
 Data: <@&#132;&#160;&#176;]           > 40 84 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025DB0A152D0, 16 bytes long.
 Data: < &#132;&#160;&#176;]           > 18 84 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025DB0A0E300, 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 0x0000025DB0A15370, 16 bytes long.
 Data: <&#240;&#131;&#160;&#176;]           > F0 83 A0 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025DB0A083F0, 320 bytes long.
 Data: <pS&#161;&#176;]    &#227;&#160;&#176;]   > 70 53 A1 B0 5D 02 00 00 00 E3 A0 B0 5D 02 00 00 
{272} normal block at 0x0000025DB0A14B50, 16 bytes long.
 Data: < H&#161;&#176;]           > 80 48 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025DB0A14FB0, 16 bytes long.
 Data: <XH&#161;&#176;]           > 58 48 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025DB0A0E480, 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 0x0000025DB0A14D80, 16 bytes long.
 Data: <0H&#161;&#176;]           > 30 48 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025DB0A0E960, 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 0x0000025DB0A15140, 16 bytes long.
 Data: <xG&#161;&#176;]           > 78 47 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025DB0A153C0, 16 bytes long.
 Data: <PG&#161;&#176;]           > 50 47 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025DB0A15000, 16 bytes long.
 Data: <(G&#161;&#176;]           > 28 47 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025DB0A0F200, 16 bytes long.
 Data: < G&#161;&#176;]           > 00 47 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025DB0A0EFD0, 16 bytes long.
 Data: <&#216;F&#161;&#176;]           > D8 46 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025DB0A0F110, 16 bytes long.
 Data: <&#176;F&#161;&#176;]           > B0 46 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025DB0A0EBC0, 16 bytes long.
 Data: < A&#161;&#176;]           > 90 41 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025DB0A14190, 40 bytes long.
 Data: <&#192;&#235;&#160;&#176;]    &#188;t&#178;]   > C0 EB A0 B0 5D 02 00 00 20 BC 74 B2 5D 02 00 00 
{258} normal block at 0x0000025DB0A0EAD0, 16 bytes long.
 Data: < F&#161;&#176;]           > 90 46 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025DB0A0F1B0, 16 bytes long.
 Data: <hF&#161;&#176;]           > 68 46 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025DB0A0E8A0, 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 0x0000025DB0A0EDF0, 16 bytes long.
 Data: <@F&#161;&#176;]           > 40 46 A1 B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025DB0A14640, 992 bytes long.
 Data: <&#240;&#237;&#160;&#176;]   &#160;&#232;&#160;&#176;]   > F0 ED A0 B0 5D 02 00 00 A0 E8 A0 B0 5D 02 00 00 
{90} normal block at 0x0000025DB0A0E540, 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 0x0000025DB0A0F7A0, 16 bytes long.
 Data: <p&#238;&#159;&#176;]           > 70 EE 9F B0 5D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000025DB09FEE70, 40 bytes long.
 Data: <&#160;&#247;&#160;&#176;]   @&#229;&#160;&#176;]   > A0 F7 A0 B0 5D 02 00 00 40 E5 A0 B0 5D 02 00 00 
{67} normal block at 0x0000025DB0A0F660, 16 bytes long.
 Data: < &#234;&#222;e&#246;           > 80 EA DE 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025DB0A0F2A0, 16 bytes long.
 Data: <@&#233;&#222;e&#246;           > 40 E9 DE 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025DB0A0F020, 16 bytes long.
 Data: <&#248;W&#219;e&#246;           > F8 57 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025DB0A0F160, 16 bytes long.
 Data: <&#216;W&#219;e&#246;           > D8 57 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025DB0A0F570, 16 bytes long.
 Data: <P &#219;e&#246;           > 50 04 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025DB0A0F0C0, 16 bytes long.
 Data: <0 &#219;e&#246;           > 30 04 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025DB0A0EC10, 16 bytes long.
 Data: <&#224; &#219;e&#246;           > E0 02 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025DB0A0F430, 16 bytes long.
 Data: <  &#219;e&#246;           > 10 04 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025DB0A0EE90, 16 bytes long.
 Data: <p &#219;e&#246;           > 70 04 DB 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025DB0A0F250, 16 bytes long.
 Data: < &#192;&#217;e&#246;           > 18 C0 D9 65 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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