Task 38675214

Name test_407-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4434_1
Workunit 31610195
Created 26 Oct 2026, 7:37:24 UTC
Sent 26 Oct 2026, 7:37:36 UTC
Report deadline 31 Oct 2026, 7:37:36 UTC
Received 26 Oct 2026, 8:52:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651345
Run time 19 min 17 sec
CPU time 18 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.36 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:30:27 (5436): wrapper (7.9.26016): starting
03:30:27 (5436): 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
03:30:28 (5436): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:30:28 (5436): 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
03:49:10 (5436): C:/Windows/system32/cmd.exe exited; CPU time 1094.765625
03:49:10 (5436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 13850957 bytes.
Dumping objects ->
{3835567} normal block at 0x0000016F4A733C60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000016F4A733A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x0000016F4A733BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x0000016F4A733DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x0000016F4A733B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x0000016F4C49A6B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000016F4C3AEDA0, 235 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) : {3835478} normal block at 0x0000016F4A72E370, 8 bytes long.
 Data: <  &#176;Jo   > 00 00 B0 4A 6F 01 00 00 
{3834701} normal block at 0x0000016F4A71B740, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000016F4A72DF10, 8 bytes long.
 Data: < ;RLo   > 20 3B 52 4C 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000016F4A72F990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016F4A725180, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000016F4A7348B0, 16 bytes long.
 Data: < TsJo           > 18 54 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016F4A734590, 16 bytes long.
 Data: <&#240;SsJo           > F0 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016F4A72F1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000016F4A734810, 16 bytes long.
 Data: <&#200;SsJo           > C8 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016F4A7344F0, 16 bytes long.
 Data: <&#160;SsJo           > A0 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016F4A734180, 16 bytes long.
 Data: <xSsJo           > 78 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016F4A734BD0, 16 bytes long.
 Data: <PSsJo           > 50 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016F4A7285B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000016F4A734AE0, 16 bytes long.
 Data: <H&#133;rJo           > 48 85 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016F4A72F700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000016F4A734FE0, 16 bytes long.
 Data: < &#133;rJo           > 20 85 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016F4A734630, 16 bytes long.
 Data: <&#248;&#132;rJo           > F8 84 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016F4A734950, 16 bytes long.
 Data: <&#208;&#132;rJo           > D0 84 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016F4A734130, 16 bytes long.
 Data: <&#168;&#132;rJo           > A8 84 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016F4A734C70, 16 bytes long.
 Data: < &#132;rJo           > 80 84 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016F4A734B80, 16 bytes long.
 Data: <X&#132;rJo           > 58 84 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016F4A72EC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000016F4A735080, 16 bytes long.
 Data: <0&#132;rJo           > 30 84 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016F4A728430, 320 bytes long.
 Data: < PsJo    &#236;rJo   > 80 50 73 4A 6F 01 00 00 20 EC 72 4A 6F 01 00 00 
{272} normal block at 0x0000016F4A734D60, 16 bytes long.
 Data: <0SsJo           > 30 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016F4A734A40, 16 bytes long.
 Data: < SsJo           > 08 53 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016F4A72F400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000016F4A734860, 16 bytes long.
 Data: <&#224;RsJo           > E0 52 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016F4A72F6A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000016F4A734680, 16 bytes long.
 Data: <(RsJo           > 28 52 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016F4A734D10, 16 bytes long.
 Data: < RsJo           > 00 52 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016F4A734E00, 16 bytes long.
 Data: <&#216;QsJo           > D8 51 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016F4A734770, 16 bytes long.
 Data: <&#176;QsJo           > B0 51 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016F4A7347C0, 16 bytes long.
 Data: < QsJo           > 88 51 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016F4A734F90, 16 bytes long.
 Data: <`QsJo           > 60 51 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016F4A734220, 16 bytes long.
 Data: <@&#216;rJo           > 40 D8 72 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016F4A72D840, 40 bytes long.
 Data: < BsJo   &#176;&#166;ILo   > 20 42 73 4A 6F 01 00 00 B0 A6 49 4C 6F 01 00 00 
{258} normal block at 0x0000016F4A735030, 16 bytes long.
 Data: <@QsJo           > 40 51 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016F4A734A90, 16 bytes long.
 Data: < QsJo           > 18 51 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016F4A72EC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000016F4A734540, 16 bytes long.
 Data: <&#240;PsJo           > F0 50 73 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016F4A7350F0, 992 bytes long.
 Data: <@EsJo    &#236;rJo   > 40 45 73 4A 6F 01 00 00 80 EC 72 4A 6F 01 00 00 
{90} normal block at 0x0000016F4A72F460, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000016F4A72E140, 16 bytes long.
 Data: <&#160;&#175;qJo           > A0 AF 71 4A 6F 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000016F4A71AFA0, 40 bytes long.
 Data: <@&#225;rJo   `&#244;rJo   > 40 E1 72 4A 6F 01 00 00 60 F4 72 4A 6F 01 00 00 
{67} normal block at 0x0000016F4A72E5A0, 16 bytes long.
 Data: < &#234; &#174;&#246;           > 80 EA 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016F4A72E190, 16 bytes long.
 Data: <@&#233; &#174;&#246;           > 40 E9 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016F4A72DD80, 16 bytes long.
 Data: <&#248;W &#174;&#246;           > F8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016F4A72DBA0, 16 bytes long.
 Data: <&#216;W &#174;&#246;           > D8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016F4A72DCE0, 16 bytes long.
 Data: <P  &#174;&#246;           > 50 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016F4A72E2D0, 16 bytes long.
 Data: <0  &#174;&#246;           > 30 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016F4A72E050, 16 bytes long.
 Data: <&#224;  &#174;&#246;           > E0 02 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016F4A72DD30, 16 bytes long.
 Data: <   &#174;&#246;           > 10 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016F4A72E5F0, 16 bytes long.
 Data: <p  &#174;&#246;           > 70 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016F4A72DEC0, 16 bytes long.
 Data: < &#192; &#174;&#246;           > 18 C0 15 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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