Task 38682940

Name test_990-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2116_0
Workunit 31624531
Created 27 Oct 2026, 9:45:48 UTC
Sent 27 Oct 2026, 9:45:51 UTC
Report deadline 1 Nov 2026, 9:45:51 UTC
Received 27 Oct 2026, 11:51:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 34 min 12 sec
CPU time 32 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.02 MB
Peak swap size 6.90 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:18:46 (1608): wrapper (7.9.26016): starting
06:18:46 (1608): 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
06:18:48 (1608): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:18:48 (1608): 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
06:51:22 (1608): C:/Windows/system32/cmd.exe exited; CPU time 1940.546875
06:51:22 (1608): 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: 26501237 bytes.
Dumping objects ->
{3835234} normal block at 0x000002580D4B8B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002580B834D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002580B834D00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000002580B834BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000002580B834B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000002580D4C9900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002580D4DF180, 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) : {3835145} normal block at 0x000002580B82F3D0, 8 bytes long.
 Data: <  { X   > 00 00 7B 0B 58 02 00 00 
{3834542} normal block at 0x000002580D4DE730, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002580B82EF20, 8 bytes long.
 Data: < IR X   > 90 49 52 0D 58 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002580B831440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002580B8267F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002580B835B10, 16 bytes long.
 Data: <&#216;e&#131; X           > D8 65 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002580B836150, 16 bytes long.
 Data: <&#176;e&#131; X           > B0 65 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002580B82FC30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002580B835D40, 16 bytes long.
 Data: < e&#131; X           > 88 65 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002580B835660, 16 bytes long.
 Data: <`e&#131; X           > 60 65 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002580B835570, 16 bytes long.
 Data: <8e&#131; X           > 38 65 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002580B835700, 16 bytes long.
 Data: < e&#131; X           > 10 65 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002580B834C90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002580B8358E0, 16 bytes long.
 Data: < &#231;  X           > 08 E7 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002580B8306B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002580B836100, 16 bytes long.
 Data: <&#224;&#230;  X           > E0 E6 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002580B835F20, 16 bytes long.
 Data: <&#184;&#230;  X           > B8 E6 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002580B835840, 16 bytes long.
 Data: < &#230;  X           > 90 E6 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002580B835C00, 16 bytes long.
 Data: <h&#230;  X           > 68 E6 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002580B835930, 16 bytes long.
 Data: <@&#230;  X           > 40 E6 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002580B835ED0, 16 bytes long.
 Data: < &#230;  X           > 18 E6 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002580B82FF30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002580B8360B0, 16 bytes long.
 Data: <&#240;&#229;  X           > F0 E5 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002580B81E5F0, 320 bytes long.
 Data: <&#176;`&#131; X   0&#255;&#130; X   > B0 60 83 0B 58 02 00 00 30 FF 82 0B 58 02 00 00 
{276} normal block at 0x000002580B8357F0, 16 bytes long.
 Data: <&#240;d&#131; X           > F0 64 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002580B835CF0, 16 bytes long.
 Data: <&#200;d&#131; X           > C8 64 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002580B82FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002580B835520, 16 bytes long.
 Data: <&#160;d&#131; X           > A0 64 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002580B82FBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002580B835F70, 16 bytes long.
 Data: <&#232;c&#131; X           > E8 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002580B835750, 16 bytes long.
 Data: <&#192;c&#131; X           > C0 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002580B835E80, 16 bytes long.
 Data: < c&#131; X           > 98 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002580B8354D0, 16 bytes long.
 Data: <pc&#131; X           > 70 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002580B835D90, 16 bytes long.
 Data: <Hc&#131; X           > 48 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002580B835DE0, 16 bytes long.
 Data: < c&#131; X           > 20 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002580B835890, 16 bytes long.
 Data: <&#224;M&#131; X           > E0 4D 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002580B834DE0, 40 bytes long.
 Data: < X&#131; X     L X   > 90 58 83 0B 58 02 00 00 00 99 4C 0D 58 02 00 00 
{262} normal block at 0x000002580B835E30, 16 bytes long.
 Data: < c&#131; X           > 00 63 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002580B835CA0, 16 bytes long.
 Data: <&#216;b&#131; X           > D8 62 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002580B830290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002580B836060, 16 bytes long.
 Data: <&#176;b&#131; X           > B0 62 83 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002580B8362B0, 992 bytes long.
 Data: <``&#131; X     &#131; X   > 60 60 83 0B 58 02 00 00 90 02 83 0B 58 02 00 00 
{94} normal block at 0x000002580B830230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002580B82F380, 16 bytes long.
 Data: <&#224;&#193;  X           > E0 C1 81 0B 58 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002580B81C1E0, 40 bytes long.
 Data: < &#243;&#130; X   0 &#131; X   > 80 F3 82 0B 58 02 00 00 30 02 83 0B 58 02 00 00 
{71} normal block at 0x000002580B82F2E0, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002580B82ECF0, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002580B82E7F0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002580B82EE80, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002580B82F330, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002580B82F290, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002580B82EF70, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002580B82EC50, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002580B82F0B0, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002580B82F240, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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