Task 38686592

Name test_608-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4661_0
Workunit 31628019
Created 28 Oct 2026, 3:21:23 UTC
Sent 28 Oct 2026, 3:21:25 UTC
Report deadline 2 Nov 2026, 3:21:25 UTC
Received 28 Oct 2026, 3:43:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 21 min 20 sec
CPU time 21 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.26 MB
Peak swap size 12.99 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:22:28 (16052): wrapper (7.9.26016): starting
20:22:28 (16052): 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
20:22:29 (16052): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:22:29 (16052): 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
20:42:56 (16052): C:/Windows/system32/cmd.exe exited; CPU time 1264.906250
20:42:56 (16052): 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: 13588575 bytes.
Dumping objects ->
{3835314} normal block at 0x0000026673554930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000026673554A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x00000266735548C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x0000026673554850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000026673554770, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x00000266752E6E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000266752FE4F0, 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) : {3835225} normal block at 0x000002667354E840, 8 bytes long.
 Data: <  &#158;sf   > 00 00 9E 73 66 02 00 00 
{3834574} normal block at 0x00000266752FE650, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002667354EFC0, 8 bytes long.
 Data: < &#170;Wsf   > 80 AA 57 73 66 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026673550DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000266735464F0, 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 0x00000266735557C0, 16 bytes long.
 Data: <8gUsf           > 38 67 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026673556210, 16 bytes long.
 Data: < gUsf           > 10 67 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026673550540, 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 0x0000026673555BD0, 16 bytes long.
 Data: <&#232;fUsf           > E8 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026673555B80, 16 bytes long.
 Data: <&#192;fUsf           > C0 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026673555590, 16 bytes long.
 Data: < fUsf           > 98 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026673555B30, 16 bytes long.
 Data: <pfUsf           > 70 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026673554690, 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 0x0000026673556260, 16 bytes long.
 Data: <  Tsf           > 18 90 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026673550000, 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 0x00000266735561C0, 16 bytes long.
 Data: <&#240; Tsf           > F0 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026673555C20, 16 bytes long.
 Data: <&#200; Tsf           > C8 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026673555770, 16 bytes long.
 Data: <&#160; Tsf           > A0 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026673556120, 16 bytes long.
 Data: <x Tsf           > 78 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000266735560D0, 16 bytes long.
 Data: <P Tsf           > 50 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026673555A90, 16 bytes long.
 Data: <( Tsf           > 28 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002667354FEE0, 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 0x0000026673555540, 16 bytes long.
 Data: <  Tsf           > 00 8F 54 73 66 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026673548F00, 320 bytes long.
 Data: <@UUsf   &#224;&#254;Tsf   > 40 55 55 73 66 02 00 00 E0 FE 54 73 66 02 00 00 
{274} normal block at 0x0000026673555A40, 16 bytes long.
 Data: <PfUsf           > 50 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026673555720, 16 bytes long.
 Data: <(fUsf           > 28 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002667354FE20, 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 0x0000026673555950, 16 bytes long.
 Data: < fUsf           > 00 66 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026673550180, 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 0x0000026673555C70, 16 bytes long.
 Data: <HeUsf           > 48 65 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026673556300, 16 bytes long.
 Data: < eUsf           > 20 65 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000266735558B0, 16 bytes long.
 Data: <&#248;dUsf           > F8 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026673555CC0, 16 bytes long.
 Data: <&#208;dUsf           > D0 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026673555EA0, 16 bytes long.
 Data: <&#168;dUsf           > A8 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026673556080, 16 bytes long.
 Data: < dUsf           > 80 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026673555FE0, 16 bytes long.
 Data: < JUsf           > 80 4A 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026673554A80, 40 bytes long.
 Data: <&#224;_Usf    n.uf   > E0 5F 55 73 66 02 00 00 00 6E 2E 75 66 02 00 00 
{260} normal block at 0x0000026673555F90, 16 bytes long.
 Data: <`dUsf           > 60 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026673555900, 16 bytes long.
 Data: <8dUsf           > 38 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002667354FAC0, 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 0x0000026673555AE0, 16 bytes long.
 Data: < dUsf           > 10 64 55 73 66 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026673556410, 992 bytes long.
 Data: <&#224;ZUsf   &#192;&#250;Tsf   > E0 5A 55 73 66 02 00 00 C0 FA 54 73 66 02 00 00 
{92} normal block at 0x00000266735501E0, 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 0x000002667354F5B0, 16 bytes long.
 Data: <p&#239;Ssf           > 70 EF 53 73 66 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002667353EF70, 40 bytes long.
 Data: <&#176;&#245;Tsf   &#224; Usf   > B0 F5 54 73 66 02 00 00 E0 01 55 73 66 02 00 00 
{69} normal block at 0x000002667354F600, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002667354F010, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002667354F330, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002667354EE80, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002667354E7F0, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002667354ECA0, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002667354E980, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002667354F0B0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002667354EA20, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002667354ED40, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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