Task 38689786

Name test_83-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND0085_0
Workunit 31631014
Created 28 Oct 2026, 23:36:12 UTC
Sent 28 Oct 2026, 23:36:16 UTC
Report deadline 2 Nov 2026, 23:36:16 UTC
Received 29 Oct 2026, 0:01:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 21 min 53 sec
CPU time 18 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.36 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:40:21 (12900): wrapper (7.9.26016): starting
16:40:21 (12900): 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
16:40:23 (12900): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:40:23 (12900): 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
17:01:23 (12900): C:/Windows/system32/cmd.exe exited; CPU time 1134.937500
17:01:23 (12900): 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: 17354833 bytes.
Dumping objects ->
{3835318} normal block at 0x0000020A155E5F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000020A155E5B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x0000020A155E5B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x0000020A155E5A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x0000020A155E5FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x0000020A172CD960, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000020A1732FF70, 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) : {3835229} normal block at 0x0000020A155DF990, 8 bytes long.
 Data: <  &#169;     > 00 00 A9 15 0A 02 00 00 
{3834578} normal block at 0x0000020A1732F730, 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 0x0000020A155E0390, 8 bytes long.
 Data: < &#180;2     > 10 B4 32 17 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020A155E2540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020A155CF9B0, 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 0x0000020A155E6D50, 16 bytes long.
 Data: <&#168;t^             > A8 74 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020A155E6FD0, 16 bytes long.
 Data: < t^             > 80 74 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020A155E0A10, 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 0x0000020A155E6530, 16 bytes long.
 Data: <Xt^             > 58 74 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A155E6CB0, 16 bytes long.
 Data: <0t^             > 30 74 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020A155E6350, 16 bytes long.
 Data: < t^             > 08 74 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020A155E7110, 16 bytes long.
 Data: <&#224;s^             > E0 73 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A155E5C50, 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 0x0000020A155E6800, 16 bytes long.
 Data: <&#184; ]             > B8 12 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020A155E08F0, 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 0x0000020A155E6B20, 16 bytes long.
 Data: <  ]             > 90 12 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A155E6F30, 16 bytes long.
 Data: <h ]             > 68 12 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020A155E6A80, 16 bytes long.
 Data: <@ ]             > 40 12 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A155E70C0, 16 bytes long.
 Data: <  ]             > 18 12 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020A155E69E0, 16 bytes long.
 Data: <&#240; ]             > F0 11 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020A155E6620, 16 bytes long.
 Data: <&#200; ]             > C8 11 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A155E14F0, 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 0x0000020A155E6AD0, 16 bytes long.
 Data: <&#160; ]             > A0 11 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A155D11A0, 320 bytes long.
 Data: <&#208;j^     &#240; ^     > D0 6A 5E 15 0A 02 00 00 F0 14 5E 15 0A 02 00 00 
{276} normal block at 0x0000020A155E6A30, 16 bytes long.
 Data: <&#192;s^             > C0 73 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020A155E6C60, 16 bytes long.
 Data: < s^             > 98 73 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A155E1070, 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 0x0000020A155E6C10, 16 bytes long.
 Data: <ps^             > 70 73 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A155E0A70, 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 0x0000020A155E6850, 16 bytes long.
 Data: <&#184;r^             > B8 72 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A155E6D00, 16 bytes long.
 Data: < r^             > 90 72 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A155E6300, 16 bytes long.
 Data: <hr^             > 68 72 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020A155E67B0, 16 bytes long.
 Data: <@r^             > 40 72 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020A155E6990, 16 bytes long.
 Data: < r^             > 18 72 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020A155E6B70, 16 bytes long.
 Data: <&#240;q^             > F0 71 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020A155E63F0, 16 bytes long.
 Data: <&#224;[^             > E0 5B 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A155E5BE0, 40 bytes long.
 Data: <&#240;c^     `&#217;,     > F0 63 5E 15 0A 02 00 00 60 D9 2C 17 0A 02 00 00 
{262} normal block at 0x0000020A155E65D0, 16 bytes long.
 Data: <&#208;q^             > D0 71 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020A155E7070, 16 bytes long.
 Data: <&#168;q^             > A8 71 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020A155E1010, 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 0x0000020A155E66C0, 16 bytes long.
 Data: < q^             > 80 71 5E 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020A155E7180, 992 bytes long.
 Data: <&#192;f^       ^     > C0 66 5E 15 0A 02 00 00 10 10 5E 15 0A 02 00 00 
{94} normal block at 0x0000020A155E0BF0, 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 0x0000020A155E06B0, 16 bytes long.
 Data: <p ]             > 70 06 5D 15 0A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020A155D0670, 40 bytes long.
 Data: <&#176; ^     &#240; ^     > B0 06 5E 15 0A 02 00 00 F0 0B 5E 15 0A 02 00 00 
{71} normal block at 0x0000020A155DF850, 16 bytes long.
 Data: < &#234;&#235;&#207;&#247;           > 80 EA EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020A155DFEE0, 16 bytes long.
 Data: <@&#233;&#235;&#207;&#247;           > 40 E9 EB CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020A155DFC60, 16 bytes long.
 Data: <&#248;W&#232;&#207;&#247;           > F8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020A155DFBC0, 16 bytes long.
 Data: <&#216;W&#232;&#207;&#247;           > D8 57 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020A155DFA80, 16 bytes long.
 Data: <P &#232;&#207;&#247;           > 50 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020A155DFAD0, 16 bytes long.
 Data: <0 &#232;&#207;&#247;           > 30 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A155E0430, 16 bytes long.
 Data: <&#224; &#232;&#207;&#247;           > E0 02 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A155E0160, 16 bytes long.
 Data: <  &#232;&#207;&#247;           > 10 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020A155DF9E0, 16 bytes long.
 Data: <p &#232;&#207;&#247;           > 70 04 E8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020A155DFE90, 16 bytes long.
 Data: < &#192;&#230;&#207;&#247;           > 18 C0 E6 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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