Task 38684139

Name test_410-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND0092_0
Workunit 31625662
Created 27 Oct 2026, 14:52:58 UTC
Sent 27 Oct 2026, 14:53:08 UTC
Report deadline 1 Nov 2026, 14:53:08 UTC
Received 27 Oct 2026, 15:12:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 18 min 28 sec
CPU time 17 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.64 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:53:59 (4456): wrapper (7.9.26016): starting
15:53:59 (4456): 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
15:54:00 (4456): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:54:00 (4456): 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\2\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\2\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
16:11:47 (4456): C:/Windows/system32/cmd.exe exited; CPU time 1023.687500
16:11:47 (4456): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 19482671 bytes.
Dumping objects ->
{3835223} normal block at 0x0000027C37A24220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000027C37A24300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000027C37A241B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000027C37A24140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000027C37A23FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000027C3962B0C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000027C3968D0A0, 102 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) : {3835134} normal block at 0x0000027C37A1D210, 8 bytes long.
 Data: <  &#248;7|   > 00 00 F8 37 7C 02 00 00 
{3834541} normal block at 0x0000027C3968D570, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000027C37A1CB30, 8 bytes long.
 Data: < %&#162;7|   > 00 25 A2 37 7C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027C37A1F690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027C37A15DF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000027C37A23850, 16 bytes long.
 Data: <&#200;=&#162;7|           > C8 3D A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027C37A22EA0, 16 bytes long.
 Data: <&#160;=&#162;7|           > A0 3D A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027C37A1E5A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000027C37A236C0, 16 bytes long.
 Data: <x=&#162;7|           > 78 3D A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027C37A231C0, 16 bytes long.
 Data: <P=&#162;7|           > 50 3D A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027C37A23760, 16 bytes long.
 Data: <(=&#162;7|           > 28 3D A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027C37A23170, 16 bytes long.
 Data: < =&#162;7|           > 00 3D A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027C37A24370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000027C37A23A30, 16 bytes long.
 Data: < &#200;&#161;7|           > 18 C8 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027C37A1E120, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000027C37A235D0, 16 bytes long.
 Data: <&#240;&#199;&#161;7|           > F0 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027C37A23440, 16 bytes long.
 Data: <&#200;&#199;&#161;7|           > C8 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027C37A23620, 16 bytes long.
 Data: <&#160;&#199;&#161;7|           > A0 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027C37A23800, 16 bytes long.
 Data: <x&#199;&#161;7|           > 78 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027C37A23120, 16 bytes long.
 Data: <P&#199;&#161;7|           > 50 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027C37A22C20, 16 bytes long.
 Data: <(&#199;&#161;7|           > 28 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027C37A1E420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000027C37A23670, 16 bytes long.
 Data: < &#199;&#161;7|           > 00 C7 A1 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027C37A1C700, 320 bytes long.
 Data: <p6&#162;7|    &#228;&#161;7|   > 70 36 A2 37 7C 02 00 00 20 E4 A1 37 7C 02 00 00 
{275} normal block at 0x0000027C37A22F90, 16 bytes long.
 Data: <&#224;<&#162;7|           > E0 3C A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027C37A23990, 16 bytes long.
 Data: <&#184;<&#162;7|           > B8 3C A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027C37A1E240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000027C37A23350, 16 bytes long.
 Data: < <&#162;7|           > 90 3C A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027C37A1DFA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000027C37A230D0, 16 bytes long.
 Data: <&#216;;&#162;7|           > D8 3B A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027C37A23300, 16 bytes long.
 Data: <&#176;;&#162;7|           > B0 3B A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027C37A23080, 16 bytes long.
 Data: < ;&#162;7|           > 88 3B A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027C37A22F40, 16 bytes long.
 Data: <`;&#162;7|           > 60 3B A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027C37A237B0, 16 bytes long.
 Data: <8;&#162;7|           > 38 3B A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027C37A233A0, 16 bytes long.
 Data: < ;&#162;7|           > 10 3B A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027C37A233F0, 16 bytes long.
 Data: <&#160;&#211;&#160;7|           > A0 D3 A0 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027C37A0D3A0, 40 bytes long.
 Data: <&#240;3&#162;7|   &#192;&#176;b9|   > F0 33 A2 37 7C 02 00 00 C0 B0 62 39 7C 02 00 00 
{261} normal block at 0x0000027C37A23030, 16 bytes long.
 Data: <&#240;:&#162;7|           > F0 3A A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027C37A22AE0, 16 bytes long.
 Data: <&#200;:&#162;7|           > C8 3A A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027C37A1DF40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000027C37A23530, 16 bytes long.
 Data: <&#160;:&#162;7|           > A0 3A A2 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027C37A23AA0, 992 bytes long.
 Data: <05&#162;7|   @&#223;&#161;7|   > 30 35 A2 37 7C 02 00 00 40 DF A1 37 7C 02 00 00 
{93} normal block at 0x0000027C37A1E060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000027C37A1CA90, 16 bytes long.
 Data: <&#192; &#160;7|           > C0 8D A0 37 7C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000027C37A08DC0, 40 bytes long.
 Data: < &#202;&#161;7|   `&#224;&#161;7|   > 90 CA A1 37 7C 02 00 00 60 E0 A1 37 7C 02 00 00 
{70} normal block at 0x0000027C37A1CA40, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027C37A1D940, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027C37A1D170, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027C37A1D620, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027C37A1D710, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027C37A1D120, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027C37A1CF40, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027C37A1CC20, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027C37A1C9F0, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027C37A1D0D0, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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