Task 38656038

Name test_77-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5443_0
Workunit 31599784
Created 24 Oct 2026, 10:14:47 UTC
Sent 24 Oct 2026, 10:14:55 UTC
Report deadline 29 Oct 2026, 10:14:55 UTC
Received 24 Oct 2026, 13:35:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 53 min 57 sec
CPU time 48 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.52 MB
Peak swap size 6.86 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:41:32 (2820): wrapper (7.9.26016): starting
21:41:32 (2820): 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
21:41:33 (2820): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:41:33 (2820): 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\13\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\13\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
22:34:49 (2820): C:/Windows/system32/cmd.exe exited; CPU time 2912.937500
22:34:49 (2820): 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: 48083189 bytes.
Dumping objects ->
{3835659} normal block at 0x0000024A209BE570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x0000024A209BDEE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x0000024A1EAB6510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x0000024A1EAB67B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x0000024A1EAB64A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x0000024A20A06FB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x0000024A20A1F730, 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) : {3835570} normal block at 0x0000024A1EAB0BC0, 8 bytes long.
 Data: <    J   > 00 00 E1 1E 4A 02 00 00 
{3834789} normal block at 0x0000024A20A200D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000024A1EAB02B0, 8 bytes long.
 Data: <@V&#166; J   > 40 56 A6 20 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024A1EAB2F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024A1EAA8340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024A1EAB7070, 16 bytes long.
 Data: <&#184;}&#171; J           > B8 7D AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024A1EAB6F30, 16 bytes long.
 Data: < }&#171; J           > 90 7D AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024A1EAB1540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024A1EAB77F0, 16 bytes long.
 Data: <h}&#171; J           > 68 7D AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024A1EAB73E0, 16 bytes long.
 Data: <@}&#171; J           > 40 7D AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024A1EAB7340, 16 bytes long.
 Data: < }&#171; J           > 18 7D AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024A1EAB6C10, 16 bytes long.
 Data: < |&#171; J           > F0 7C AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024A1EAB6820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024A1EAB7250, 16 bytes long.
 Data: <&#216;&#181;&#169; J           > D8 B5 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024A1EAB14E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024A1EAB70C0, 16 bytes long.
 Data: <&#176;&#181;&#169; J           > B0 B5 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024A1EAB6F80, 16 bytes long.
 Data: < &#181;&#169; J           > 88 B5 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024A1EAB7700, 16 bytes long.
 Data: <`&#181;&#169; J           > 60 B5 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024A1EAB7200, 16 bytes long.
 Data: <8&#181;&#169; J           > 38 B5 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024A1EAB71B0, 16 bytes long.
 Data: < &#181;&#169; J           > 10 B5 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024A1EAB6E90, 16 bytes long.
 Data: < &#180;&#169; J           > E8 B4 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024A1EAB11E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024A1EAB7110, 16 bytes long.
 Data: <&#192;&#180;&#169; J           > C0 B4 A9 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024A1EA9B4C0, 320 bytes long.
 Data: < q&#171; J     &#171; J   > 10 71 AB 1E 4A 02 00 00 E0 11 AB 1E 4A 02 00 00 
{277} normal block at 0x0000024A1EAB6B20, 16 bytes long.
 Data: <&#208;|&#171; J           > D0 7C AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024A1EAB7020, 16 bytes long.
 Data: <&#168;|&#171; J           > A8 7C AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024A1EAB1CC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024A1EAB6BC0, 16 bytes long.
 Data: < |&#171; J           > 80 7C AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024A1EAB1180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024A1EAB7390, 16 bytes long.
 Data: <&#200;{&#171; J           > C8 7B AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024A1EAB7840, 16 bytes long.
 Data: < {&#171; J           > A0 7B AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024A1EAB6B70, 16 bytes long.
 Data: <x{&#171; J           > 78 7B AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024A1EAB7160, 16 bytes long.
 Data: <P{&#171; J           > 50 7B AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024A1EAB6DA0, 16 bytes long.
 Data: <({&#171; J           > 28 7B AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024A1EAB78E0, 16 bytes long.
 Data: < {&#171; J           > 00 7B AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024A1EAB6FD0, 16 bytes long.
 Data: < e&#171; J           > 80 65 AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024A1EAB6580, 40 bytes long.
 Data: <&#208;o&#171; J   &#176;o  J   > D0 6F AB 1E 4A 02 00 00 B0 6F A0 20 4A 02 00 00 
{263} normal block at 0x0000024A1EAB72F0, 16 bytes long.
 Data: < z&#171; J           > E0 7A AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024A1EAB72A0, 16 bytes long.
 Data: <&#184;z&#171; J           > B8 7A AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024A1EAB1DE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024A1EAB6E40, 16 bytes long.
 Data: < z&#171; J           > 90 7A AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024A1EAB7A90, 992 bytes long.
 Data: <@n&#171; J     &#171; J   > 40 6E AB 1E 4A 02 00 00 E0 1D AB 1E 4A 02 00 00 
{95} normal block at 0x0000024A1EAB1F60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024A1EAB0CB0, 16 bytes long.
 Data: <p &#171; J           > 70 00 AB 1E 4A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024A1EAB0070, 40 bytes long.
 Data: <&#176; &#171; J   ` &#171; J   > B0 0C AB 1E 4A 02 00 00 60 1F AB 1E 4A 02 00 00 
{70} normal block at 0x0000024A1EAB0800, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024A1EAB1020, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024A1EAB03F0, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024A1EAB0A30, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024A1EAB10C0, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024A1EAB0D50, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024A1EAB09E0, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024A1EAB0530, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024A1EAB0580, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024A1EAB03A0, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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