Task 38683594

Name test_107-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5431_0
Workunit 31625147
Created 27 Oct 2026, 12:28:00 UTC
Sent 27 Oct 2026, 12:28:02 UTC
Report deadline 1 Nov 2026, 12:28:02 UTC
Received 27 Oct 2026, 15:21:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 43 min 13 sec
CPU time 33 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.50 MB
Peak swap size 6.91 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:40:01 (5268): wrapper (7.9.26016): starting
09:40:01 (5268): 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
09:40:03 (5268): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:40:03 (5268): 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
10:21:20 (5268): C:/Windows/system32/cmd.exe exited; CPU time 2011.093750
10:21:20 (5268): 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: 33731025 bytes.
Dumping objects ->
{3835234} normal block at 0x00000129F4C9DC00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000129F31347C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000129F3134750, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x00000129F3134D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000129F3134C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000129F4CE5700, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000129F4CFE9F0, 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) : {3835145} normal block at 0x00000129F312EE30, 8 bytes long.
 Data: <   &#243;)   > 00 00 0A F3 29 01 00 00 
{3834542} normal block at 0x00000129F4CFE940, 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 0x00000129F312EC00, 8 bytes long.
 Data: <0Z&#215;&#244;)   > 30 5A D7 F4 29 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000129F3131440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000129F31261C0, 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 0x00000129F31357A0, 16 bytes long.
 Data: <&#216;e &#243;)           > D8 65 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000129F3135340, 16 bytes long.
 Data: <&#176;e &#243;)           > B0 65 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000129F312F7B0, 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 0x00000129F3135980, 16 bytes long.
 Data: < e &#243;)           > 88 65 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000129F3135520, 16 bytes long.
 Data: <`e &#243;)           > 60 65 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000129F3136150, 16 bytes long.
 Data: <8e &#243;)           > 38 65 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000129F3136240, 16 bytes long.
 Data: < e &#243;)           > 10 65 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000129F3134B40, 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 0x00000129F31352F0, 16 bytes long.
 Data: <&#216;&#181; &#243;)           > D8 B5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000129F3130050, 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 0x00000129F3135F70, 16 bytes long.
 Data: <&#176;&#181; &#243;)           > B0 B5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000129F31355C0, 16 bytes long.
 Data: < &#181; &#243;)           > 88 B5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000129F3135C00, 16 bytes long.
 Data: <`&#181; &#243;)           > 60 B5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000129F31360B0, 16 bytes long.
 Data: <8&#181; &#243;)           > 38 B5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000129F3135700, 16 bytes long.
 Data: < &#181; &#243;)           > 10 B5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000129F3135B60, 16 bytes long.
 Data: <&#232;&#180; &#243;)           > E8 B4 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000129F3130290, 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 0x00000129F3135F20, 16 bytes long.
 Data: <&#192;&#180; &#243;)           > C0 B4 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000129F311B4C0, 320 bytes long.
 Data: < _ &#243;)      &#243;)   > 20 5F 13 F3 29 01 00 00 90 02 13 F3 29 01 00 00 
{276} normal block at 0x00000129F3135E30, 16 bytes long.
 Data: <&#240;d &#243;)           > F0 64 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000129F31356B0, 16 bytes long.
 Data: <&#200;d &#243;)           > C8 64 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000129F31306B0, 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 0x00000129F3135ED0, 16 bytes long.
 Data: <&#160;d &#243;)           > A0 64 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000129F3130230, 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 0x00000129F31361F0, 16 bytes long.
 Data: <&#232;c &#243;)           > E8 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000129F3135B10, 16 bytes long.
 Data: <&#192;c &#243;)           > C0 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000129F3136100, 16 bytes long.
 Data: < c &#243;)           > 98 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000129F3135660, 16 bytes long.
 Data: <pc &#243;)           > 70 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000129F3136010, 16 bytes long.
 Data: <Hc &#243;)           > 48 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000129F3136060, 16 bytes long.
 Data: < c &#243;)           > 20 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000129F3135D40, 16 bytes long.
 Data: < I &#243;)           > 10 49 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000129F3134910, 40 bytes long.
 Data: <@] &#243;)    W&#206;&#244;)   > 40 5D 13 F3 29 01 00 00 00 57 CE F4 29 01 00 00 
{262} normal block at 0x00000129F3135D90, 16 bytes long.
 Data: < c &#243;)           > 00 63 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000129F3135610, 16 bytes long.
 Data: <&#216;b &#243;)           > D8 62 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000129F312FFF0, 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 0x00000129F3135FC0, 16 bytes long.
 Data: <&#176;b &#243;)           > B0 62 13 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000129F31362B0, 992 bytes long.
 Data: <&#192;_ &#243;)   &#240;&#255; &#243;)   > C0 5F 13 F3 29 01 00 00 F0 FF 12 F3 29 01 00 00 
{94} normal block at 0x00000129F3130530, 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 0x00000129F312E9D0, 16 bytes long.
 Data: <&#192;&#229; &#243;)           > C0 E5 11 F3 29 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000129F311E5C0, 40 bytes long.
 Data: <&#208;&#233; &#243;)   0  &#243;)   > D0 E9 12 F3 29 01 00 00 30 05 13 F3 29 01 00 00 
{71} normal block at 0x00000129F312E7A0, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000129F312F380, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000129F312F330, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000129F312F650, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000129F312F010, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000129F312EFC0, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000129F312F240, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000129F312F600, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000129F312F2E0, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000129F312F290, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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