Task 38687708

Name test_121-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6959_0
Workunit 31629090
Created 28 Oct 2026, 9:18:20 UTC
Sent 28 Oct 2026, 9:18:24 UTC
Report deadline 2 Nov 2026, 9:18:24 UTC
Received 28 Oct 2026, 10:36:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629467
Run time 1 hours 17 min 11 sec
CPU time 1 hours 8 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,189.73 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.46 MB
Peak swap size 5.25 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:21:57 (33008): wrapper (7.9.26016): starting
02:21:57 (33008): 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
02:22:00 (33008): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:22:00 (33008): 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\12\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\12\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
03:35:50 (33008): C:/Windows/system32/cmd.exe exited; CPU time 4088.750000
03:35:50 (33008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 71048489 bytes.
Dumping objects ->
{3835230} normal block at 0x0000021954B5DAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000021952FD5190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000021952FD53C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x0000021952FD5350, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000021952FD5040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x0000021954BA4BD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x000002195302D850, 141 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) : {3835141} normal block at 0x0000021952FCF830, 8 bytes long.
 Data: <  &#204;T    > 00 00 CC 54 19 02 00 00 
{3834541} normal block at 0x000002195302DE00, 141 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 0x0000021952FCEE30, 8 bytes long.
 Data: <&#208;T&#192;T    > D0 54 C0 54 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021952FCDEF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021952FC63A0, 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 0x0000021952FD6A50, 16 bytes long.
 Data: < \&#253;R            > 88 5C FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021952FD65F0, 16 bytes long.
 Data: <`\&#253;R            > 60 5C FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021952FCFE40, 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 0x0000021952FD6000, 16 bytes long.
 Data: <8\&#253;R            > 38 5C FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021952FD61E0, 16 bytes long.
 Data: < \&#253;R            > 10 5C FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021952FD6C30, 16 bytes long.
 Data: <&#232;[&#253;R            > E8 5B FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021952FD6B90, 16 bytes long.
 Data: <&#192;[&#253;R            > C0 5B FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021952FD4DA0, 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 0x0000021952FD6B40, 16 bytes long.
 Data: <&#248;&#245;&#251;R            > F8 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021952FD0020, 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 0x0000021952FD68C0, 16 bytes long.
 Data: <&#208;&#245;&#251;R            > D0 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021952FD6190, 16 bytes long.
 Data: <&#168;&#245;&#251;R            > A8 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021952FD6AF0, 16 bytes long.
 Data: < &#245;&#251;R            > 80 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021952FD6870, 16 bytes long.
 Data: <X&#245;&#251;R            > 58 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021952FD6320, 16 bytes long.
 Data: <0&#245;&#251;R            > 30 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021952FD6A00, 16 bytes long.
 Data: < &#245;&#251;R            > 08 F5 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021952FD0140, 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 0x0000021952FD67D0, 16 bytes long.
 Data: <&#224;&#244;&#251;R            > E0 F4 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021952FBF4E0, 320 bytes long.
 Data: <&#208;g&#253;R    @ &#253;R    > D0 67 FD 52 19 02 00 00 40 01 FD 52 19 02 00 00 
{275} normal block at 0x0000021952FD6280, 16 bytes long.
 Data: <&#160;[&#253;R            > A0 5B FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021952FD65A0, 16 bytes long.
 Data: <x[&#253;R            > 78 5B FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021952FD0BC0, 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 0x0000021952FD6730, 16 bytes long.
 Data: <P[&#253;R            > 50 5B FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021952FCFFC0, 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 0x0000021952FD6460, 16 bytes long.
 Data: < Z&#253;R            > 98 5A FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021952FD6550, 16 bytes long.
 Data: <pZ&#253;R            > 70 5A FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021952FD6C80, 16 bytes long.
 Data: <HZ&#253;R            > 48 5A FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021952FD5FB0, 16 bytes long.
 Data: < Z&#253;R            > 20 5A FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021952FD5E70, 16 bytes long.
 Data: <&#248;Y&#253;R            > F8 59 FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021952FCF060, 16 bytes long.
 Data: <&#208;Y&#253;R            > D0 59 FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021952FCEFC0, 16 bytes long.
 Data: <0T&#253;R            > 30 54 FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021952FD5430, 40 bytes long.
 Data: <&#192;&#239;&#252;R    &#208;K&#186;T    > C0 EF FC 52 19 02 00 00 D0 4B BA 54 19 02 00 00 
{261} normal block at 0x0000021952FCFCE0, 16 bytes long.
 Data: <&#176;Y&#253;R            > B0 59 FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021952FCF7E0, 16 bytes long.
 Data: < Y&#253;R            > 88 59 FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021952FD0380, 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 0x0000021952FCF790, 16 bytes long.
 Data: <`Y&#253;R            > 60 59 FD 52 19 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021952FD5960, 992 bytes long.
 Data: < &#247;&#252;R      &#253;R    > 90 F7 FC 52 19 02 00 00 80 03 FD 52 19 02 00 00 
{93} normal block at 0x0000021952FD02C0, 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 0x0000021952FCEF70, 16 bytes long.
 Data: < &#232;&#251;R            > 90 E8 FB 52 19 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021952FBE890, 40 bytes long.
 Data: <p&#239;&#252;R    &#192; &#253;R    > 70 EF FC 52 19 02 00 00 C0 02 FD 52 19 02 00 00 
{70} normal block at 0x0000021952FCEF20, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021952FCF380, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021952FCF970, 16 bytes long.
 Data: <&#248;W&#253; &#247;           > F8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021952FCFB50, 16 bytes long.
 Data: <&#216;W&#253; &#247;           > D8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021952FCEE80, 16 bytes long.
 Data: <P &#253; &#247;           > 50 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021952FCF010, 16 bytes long.
 Data: <0 &#253; &#247;           > 30 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021952FCF9C0, 16 bytes long.
 Data: <&#224; &#253; &#247;           > E0 02 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021952FCF420, 16 bytes long.
 Data: <  &#253; &#247;           > 10 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021952FCF510, 16 bytes long.
 Data: <p &#253; &#247;           > 70 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021952FCF240, 16 bytes long.
 Data: < &#192;&#251; &#247;           > 18 C0 FB 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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