Task 38653275

Name test_124-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8708_1
Workunit 31597103
Created 24 Oct 2026, 5:21:00 UTC
Sent 24 Oct 2026, 5:28:34 UTC
Report deadline 29 Oct 2026, 5:28:34 UTC
Received 24 Oct 2026, 7:19:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 33 min 16 sec
CPU time 32 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.93 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:46:54 (8756): wrapper (7.9.26016): starting
09:46:54 (8756): 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
09:46:55 (8756): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:46:55 (8756): 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
10:19:31 (8756): C:/Windows/system32/cmd.exe exited; CPU time 1947.875000
10:19:31 (8756): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 25980525 bytes.
Dumping objects ->
{3835549} normal block at 0x000002396647D8D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835538} normal block at 0x00000239647F5850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x00000239647F57E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835516} normal block at 0x00000239647F5A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x00000239647F5700, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835474} normal block at 0x00000239664C61F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x0000023966523DF0, 120 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) : {3835460} normal block at 0x00000239647EF9E0, 8 bytes long.
 Data: <  &#197;d9   > 00 00 C5 64 39 02 00 00 
{3834688} normal block at 0x00000239665240F0, 120 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 0x00000239647EFE40, 8 bytes long.
 Data: <@M d9   > 40 4D 7F 64 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000239647F17D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000239647E6D80, 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 0x00000239647F6BC0, 16 bytes long.
 Data: <&#200;r d9           > C8 72 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000239647F6B70, 16 bytes long.
 Data: <&#160;r d9           > A0 72 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000239647F0580, 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 0x00000239647F6A30, 16 bytes long.
 Data: <xr d9           > 78 72 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000239647F6670, 16 bytes long.
 Data: <Pr d9           > 50 72 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000239647F6B20, 16 bytes long.
 Data: <(r d9           > 28 72 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000239647F6D50, 16 bytes long.
 Data: < r d9           > 00 72 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000239647F5CB0, 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 0x00000239647F6850, 16 bytes long.
 Data: <&#184;T d9           > B8 54 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000239647F0C40, 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 0x00000239647F6DA0, 16 bytes long.
 Data: <&#144;T d9           > 90 54 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000239647F6940, 16 bytes long.
 Data: <hT d9           > 68 54 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000239647F63A0, 16 bytes long.
 Data: <@T d9           > 40 54 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000239647F6AD0, 16 bytes long.
 Data: < T d9           > 18 54 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239647F6DF0, 16 bytes long.
 Data: <&#240;S d9           > F0 53 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000239647F67B0, 16 bytes long.
 Data: <&#200;S d9           > C8 53 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000239647F0520, 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 0x00000239647F69E0, 16 bytes long.
 Data: <&#160;S d9           > A0 53 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000239647F53A0, 320 bytes long.
 Data: <&#224;i d9      d9   > E0 69 7F 64 39 02 00 00 20 05 7F 64 39 02 00 00 
{274} normal block at 0x00000239647F6A80, 16 bytes long.
 Data: <&#224;q d9           > E0 71 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239647F6760, 16 bytes long.
 Data: <&#184;q d9           > B8 71 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000239647F0940, 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 0x00000239647F6990, 16 bytes long.
 Data: <&#144;q d9           > 90 71 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000239647F04C0, 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 0x00000239647F6530, 16 bytes long.
 Data: <&#216;p d9           > D8 70 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000239647F6350, 16 bytes long.
 Data: <&#176;p d9           > B0 70 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000239647F6490, 16 bytes long.
 Data: < p d9           > 88 70 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000239647F63F0, 16 bytes long.
 Data: <`p d9           > 60 70 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000239647F6440, 16 bytes long.
 Data: <8p d9           > 38 70 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000239647F6710, 16 bytes long.
 Data: < p d9           > 10 70 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000239647F66C0, 16 bytes long.
 Data: <&#240;Z d9           > F0 5A 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000239647F5AF0, 40 bytes long.
 Data: <&#192;f d9   &#240;aLf9   > C0 66 7F 64 39 02 00 00 F0 61 4C 66 39 02 00 00 
{260} normal block at 0x00000239647F6E90, 16 bytes long.
 Data: <&#240;o d9           > F0 6F 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000239647F6620, 16 bytes long.
 Data: <&#200;o d9           > C8 6F 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000239647F0220, 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 0x00000239647F68F0, 16 bytes long.
 Data: <&#160;o d9           > A0 6F 7F 64 39 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000239647F6FA0, 992 bytes long.
 Data: <&#240;h d9      d9   > F0 68 7F 64 39 02 00 00 20 02 7F 64 39 02 00 00 
{92} normal block at 0x00000239647F0A00, 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 0x00000239647EF620, 16 bytes long.
 Data: <&#240;&#196;}d9           > F0 C4 7D 64 39 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000239647DC4F0, 40 bytes long.
 Data: < &#246;~d9      d9   > 20 F6 7E 64 39 02 00 00 00 0A 7F 64 39 02 00 00 
{69} normal block at 0x00000239647EF4E0, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000239647EF260, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000239647EFBC0, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000239647EF0D0, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000239647EF3A0, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000239647EF850, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000239647EF300, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000239647EF2B0, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000239647EFD00, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000239647EFF30, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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