Task 38685110

Name test_232-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5183_0
Workunit 31626595
Created 27 Oct 2026, 19:24:22 UTC
Sent 27 Oct 2026, 19:24:27 UTC
Report deadline 1 Nov 2026, 19:24:27 UTC
Received 27 Oct 2026, 19:47:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 535048
Run time 22 min 27 sec
CPU time 20 min 3 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 747.63 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:25:27 (22508): wrapper (7.9.26016): starting
12:25:27 (22508): 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
12:25:28 (22508): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:28 (22508): 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
12:47:03 (22508): C:/Windows/system32/cmd.exe exited; CPU time 1203.281250
12:47:03 (22508): 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: 18057971 bytes.
Dumping objects ->
{3835318} normal block at 0x00000234B17A4CF0, 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 0x00000234B17A4C80, 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 0x00000234B17A4D60, 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 0x00000234B17A4C10, 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 0x00000234B17A4B30, 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 0x00000234B34CB750, 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 0x00000234B34DE9D0, 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 0x00000234B179EAF0, 8 bytes long.
 Data: <  &#200;&#177;4   > 00 00 C8 B1 34 02 00 00 
{3834578} normal block at 0x00000234B34DF210, 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 0x00000234B179F9F0, 8 bytes long.
 Data: <&#176;&#227;7&#179;4   > B0 E3 37 B3 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000234B17A0AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000234B1796030, 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 0x00000234B17A5820, 16 bytes long.
 Data: <&#216;hz&#177;4           > D8 68 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000234B17A5E60, 16 bytes long.
 Data: <&#176;hz&#177;4           > B0 68 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000234B17A08F0, 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 0x00000234B17A5780, 16 bytes long.
 Data: < hz&#177;4           > 88 68 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000234B17A56E0, 16 bytes long.
 Data: <`hz&#177;4           > 60 68 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000234B17A5910, 16 bytes long.
 Data: <8hz&#177;4           > 38 68 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000234B17A6540, 16 bytes long.
 Data: < hz&#177;4           > 10 68 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000234B17A4DD0, 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 0x00000234B17A5A50, 16 bytes long.
 Data: <&#216;&#244;x&#177;4           > D8 F4 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000234B17A0170, 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 0x00000234B17A5690, 16 bytes long.
 Data: <&#176;&#244;x&#177;4           > B0 F4 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000234B17A64F0, 16 bytes long.
 Data: < &#244;x&#177;4           > 88 F4 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000234B17A5A00, 16 bytes long.
 Data: <`&#244;x&#177;4           > 60 F4 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234B17A5FF0, 16 bytes long.
 Data: <8&#244;x&#177;4           > 38 F4 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000234B17A6130, 16 bytes long.
 Data: < &#244;x&#177;4           > 10 F4 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000234B17A5EB0, 16 bytes long.
 Data: <&#232;&#243;x&#177;4           > E8 F3 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000234B179FBD0, 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 0x00000234B17A58C0, 16 bytes long.
 Data: <&#192;&#243;x&#177;4           > C0 F3 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000234B178F3C0, 320 bytes long.
 Data: <&#192;Xz&#177;4   &#208;&#251;y&#177;4   > C0 58 7A B1 34 02 00 00 D0 FB 79 B1 34 02 00 00 
{276} normal block at 0x00000234B17A5FA0, 16 bytes long.
 Data: <&#240;gz&#177;4           > F0 67 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000234B17A5BE0, 16 bytes long.
 Data: <&#200;gz&#177;4           > C8 67 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000234B179FB70, 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 0x00000234B17A5640, 16 bytes long.
 Data: <&#160;gz&#177;4           > A0 67 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000234B17A0950, 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 0x00000234B17A5870, 16 bytes long.
 Data: <&#232;fz&#177;4           > E8 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000234B17A5D20, 16 bytes long.
 Data: <&#192;fz&#177;4           > C0 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000234B17A57D0, 16 bytes long.
 Data: < fz&#177;4           > 98 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000234B17A5AF0, 16 bytes long.
 Data: <pfz&#177;4           > 70 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000234B17A5E10, 16 bytes long.
 Data: <Hfz&#177;4           > 48 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000234B17A5F50, 16 bytes long.
 Data: < fz&#177;4           > 20 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000234B17A5730, 16 bytes long.
 Data: <&#176;Nz&#177;4           > B0 4E 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000234B17A4EB0, 40 bytes long.
 Data: <0Wz&#177;4   P&#183;L&#179;4   > 30 57 7A B1 34 02 00 00 50 B7 4C B3 34 02 00 00 
{262} normal block at 0x00000234B17A6090, 16 bytes long.
 Data: < fz&#177;4           > 00 66 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000234B17A64A0, 16 bytes long.
 Data: <&#216;ez&#177;4           > D8 65 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000234B17A03B0, 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 0x00000234B17A6450, 16 bytes long.
 Data: <&#176;ez&#177;4           > B0 65 7A B1 34 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000234B17A65B0, 992 bytes long.
 Data: <Pdz&#177;4   &#176; z&#177;4   > 50 64 7A B1 34 02 00 00 B0 03 7A B1 34 02 00 00 
{94} normal block at 0x00000234B17A0890, 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 0x00000234B179ECD0, 16 bytes long.
 Data: < &#195;x&#177;4           > 20 C3 78 B1 34 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000234B178C320, 40 bytes long.
 Data: <&#208;&#236;y&#177;4     z&#177;4   > D0 EC 79 B1 34 02 00 00 90 08 7A B1 34 02 00 00 
{71} normal block at 0x00000234B179EE10, 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 0x00000234B179F130, 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 0x00000234B179F0E0, 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 0x00000234B179F360, 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 0x00000234B179F450, 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 0x00000234B179F810, 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 0x00000234B179F400, 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 0x00000234B179F720, 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 0x00000234B179EF00, 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 0x00000234B179ED20, 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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