Task 38686589

Name test_35-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND9383_0
Workunit 31628016
Created 28 Oct 2026, 3:20:33 UTC
Sent 28 Oct 2026, 3:20:36 UTC
Report deadline 2 Nov 2026, 3:20:36 UTC
Received 28 Oct 2026, 4:03:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629402
Run time 21 min 16 sec
CPU time 19 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,621.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.13 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:42:33 (63900): wrapper (7.9.26016): starting
22:42:33 (63900): 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
22:42:34 (63900): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:42:34 (63900): 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\11\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\11\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
23:03:03 (63900): C:/Windows/system32/cmd.exe exited; CPU time 1192.765625
23:03:03 (63900): 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: 22131891 bytes.
Dumping objects ->
{3835311} normal block at 0x000001B8D04FCD90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001B8D04FD260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001B8D04FD500, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001B8CE7A4C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001B8CE7A4A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001B8D0544F50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001B8D055E790, 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) : {3835222} normal block at 0x000001B8CE7A0D40, 8 bytes long.
 Data: <  &#200;&#206;&#184;   > 00 00 C8 CE B8 01 00 00 
{3834575} normal block at 0x000001B8D055E6E0, 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 0x000001B8CE7A0E30, 8 bytes long.
 Data: <PBZ&#208;&#184;   > 50 42 5A D0 B8 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B8CE796260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B8CE797BC0, 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 0x000001B8CE7A6550, 16 bytes long.
 Data: <&#248;Uz&#206;&#184;           > F8 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B8CE7A5E70, 16 bytes long.
 Data: <&#208;Uz&#206;&#184;           > D0 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B8CE79FB40, 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 0x000001B8CE7A5F60, 16 bytes long.
 Data: <&#168;Uz&#206;&#184;           > A8 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B8CE7A6050, 16 bytes long.
 Data: < Uz&#206;&#184;           > 80 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B8CE7A6230, 16 bytes long.
 Data: <XUz&#206;&#184;           > 58 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B8CE7A64B0, 16 bytes long.
 Data: <0Uz&#206;&#184;           > 30 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B8CE7A4B00, 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 0x000001B8CE7A5F10, 16 bytes long.
 Data: <&#248;&#184;x&#206;&#184;           > F8 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B8CE7A0020, 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 0x000001B8CE7A5880, 16 bytes long.
 Data: <&#208;&#184;x&#206;&#184;           > D0 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B8CE7A5970, 16 bytes long.
 Data: <&#168;&#184;x&#206;&#184;           > A8 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B8CE7A6410, 16 bytes long.
 Data: < &#184;x&#206;&#184;           > 80 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B8CE7A5B50, 16 bytes long.
 Data: <X&#184;x&#206;&#184;           > 58 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B8CE7A57E0, 16 bytes long.
 Data: <0&#184;x&#206;&#184;           > 30 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B8CE7A59C0, 16 bytes long.
 Data: < &#184;x&#206;&#184;           > 08 B8 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B8CE7A02C0, 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 0x000001B8CE7A6460, 16 bytes long.
 Data: <&#224;&#183;x&#206;&#184;           > E0 B7 78 CE B8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B8CE78B7E0, 320 bytes long.
 Data: <`dz&#206;&#184;   &#192; z&#206;&#184;   > 60 64 7A CE B8 01 00 00 C0 02 7A CE B8 01 00 00 
{276} normal block at 0x000001B8CE7A63C0, 16 bytes long.
 Data: < Uz&#206;&#184;           > 10 55 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B8CE7A5C90, 16 bytes long.
 Data: <&#232;Tz&#206;&#184;           > E8 54 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B8CE79FA80, 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 0x000001B8CE7A6000, 16 bytes long.
 Data: <&#192;Tz&#206;&#184;           > C0 54 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B8CE7A0380, 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 0x000001B8CE7A6190, 16 bytes long.
 Data: < Tz&#206;&#184;           > 08 54 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B8CE7A6320, 16 bytes long.
 Data: <&#224;Sz&#206;&#184;           > E0 53 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B8CE7A61E0, 16 bytes long.
 Data: <&#184;Sz&#206;&#184;           > B8 53 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B8CE7A6370, 16 bytes long.
 Data: < Sz&#206;&#184;           > 90 53 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B8CE7A6500, 16 bytes long.
 Data: <hSz&#206;&#184;           > 68 53 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B8CE7A0D90, 16 bytes long.
 Data: <@Sz&#206;&#184;           > 40 53 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B8CE7A0CF0, 16 bytes long.
 Data: < Gz&#206;&#184;           > 10 47 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B8CE7A4710, 40 bytes long.
 Data: <&#240; z&#206;&#184;   POT&#208;&#184;   > F0 0C 7A CE B8 01 00 00 50 4F 54 D0 B8 01 00 00 
{262} normal block at 0x000001B8CE7A0CA0, 16 bytes long.
 Data: < Sz&#206;&#184;           > 20 53 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B8CE7A0C50, 16 bytes long.
 Data: <&#248;Rz&#206;&#184;           > F8 52 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B8CE7A0440, 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 0x000001B8CE7A1650, 16 bytes long.
 Data: <&#208;Rz&#206;&#184;           > D0 52 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B8CE7A52D0, 992 bytes long.
 Data: <P z&#206;&#184;   @ z&#206;&#184;   > 50 16 7A CE B8 01 00 00 40 04 7A CE B8 01 00 00 
{94} normal block at 0x000001B8CE7A0260, 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 0x000001B8CE7A0BB0, 16 bytes long.
 Data: <&#192;Lz&#206;&#184;           > C0 4C 7A CE B8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B8CE7A4CC0, 40 bytes long.
 Data: <&#176; z&#206;&#184;   ` z&#206;&#184;   > B0 0B 7A CE B8 01 00 00 60 02 7A CE B8 01 00 00 
{71} normal block at 0x000001B8CE7A0ED0, 16 bytes long.
 Data: < &#234;A@&#247;           > 80 EA 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B8CE7A0F70, 16 bytes long.
 Data: <@&#233;A@&#247;           > 40 E9 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B8CE7A13D0, 16 bytes long.
 Data: <&#248;W>@&#247;           > F8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B8CE7A1600, 16 bytes long.
 Data: <&#216;W>@&#247;           > D8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B8CE7A0F20, 16 bytes long.
 Data: <P >@&#247;           > 50 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B8CE7A0AC0, 16 bytes long.
 Data: <0 >@&#247;           > 30 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B8CE7A1060, 16 bytes long.
 Data: <&#224; >@&#247;           > E0 02 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B8CE7A1100, 16 bytes long.
 Data: <  >@&#247;           > 10 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B8CE7A1290, 16 bytes long.
 Data: <p >@&#247;           > 70 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B8CE7A1510, 16 bytes long.
 Data: < &#192;<@&#247;           > 18 C0 3C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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