Task 38663914

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5548_1
Workunit 31607074
Created 24 Oct 2026, 22:56:21 UTC
Sent 24 Oct 2026, 22:56:26 UTC
Report deadline 29 Oct 2026, 22:56:26 UTC
Received 25 Oct 2026, 1:03:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 35 min 50 sec
CPU time 26 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.33 MB
Peak swap size 14.46 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:34:23 (5392): wrapper (7.9.26016): starting
01:34:23 (5392): 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
01:34:24 (5392): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:34:24 (5392): 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_GPUGRID\slots\1\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_GPUGRID\slots\1\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
02:08:39 (5392): C:/Windows/system32/cmd.exe exited; CPU time 1615.625000
02:08:39 (5392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 27376069 bytes.
Dumping objects ->
{3835309} normal block at 0x000002B9F43E44C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x000002B9F2585660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000002B9F25855F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x000002B9F2585510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000002B9F25854A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x000002B9F43E5B40, 64 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 0x000002B9F2651140, 180 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) : {3835220} normal block at 0x000002B9F257E220, 8 bytes long.
 Data: <  P&#242;&#185;   > 00 00 50 F2 B9 02 00 00 
{3834594} normal block at 0x000002B9F2651B90, 180 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 0x000002B9F257E180, 8 bytes long.
 Data: < ED&#244;&#185;   > 20 45 44 F4 B9 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002B9F2582140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B9F25762C0, 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 0x000002B9F2586510, 16 bytes long.
 Data: <8oX&#242;&#185;           > 38 6F 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B9F2585C50, 16 bytes long.
 Data: < oX&#242;&#185;           > 10 6F 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B9F257FC10, 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 0x000002B9F2586470, 16 bytes long.
 Data: <&#232;nX&#242;&#185;           > E8 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B9F2586970, 16 bytes long.
 Data: <&#192;nX&#242;&#185;           > C0 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B9F2586AB0, 16 bytes long.
 Data: < nX&#242;&#185;           > 98 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B9F2585FC0, 16 bytes long.
 Data: <pnX&#242;&#185;           > 70 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B9F25850B0, 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 0x000002B9F25865B0, 16 bytes long.
 Data: <&#248;&#246;V&#242;&#185;           > F8 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B9F257F9D0, 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 0x000002B9F2586330, 16 bytes long.
 Data: <&#208;&#246;V&#242;&#185;           > D0 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B9F2586290, 16 bytes long.
 Data: <&#168;&#246;V&#242;&#185;           > A8 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B9F2585D90, 16 bytes long.
 Data: < &#246;V&#242;&#185;           > 80 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B9F2586A10, 16 bytes long.
 Data: <X&#246;V&#242;&#185;           > 58 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B9F2586600, 16 bytes long.
 Data: <0&#246;V&#242;&#185;           > 30 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B9F2586100, 16 bytes long.
 Data: < &#246;V&#242;&#185;           > 08 F6 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B9F2580150, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x000002B9F25864C0, 16 bytes long.
 Data: <&#224;&#245;V&#242;&#185;           > E0 F5 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B9F256F5E0, 320 bytes long.
 Data: <&#192;dX&#242;&#185;   P X&#242;&#185;   > C0 64 58 F2 B9 02 00 00 50 01 58 F2 B9 02 00 00 
{276} normal block at 0x000002B9F2585F20, 16 bytes long.
 Data: <PnX&#242;&#185;           > 50 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B9F2586920, 16 bytes long.
 Data: <(nX&#242;&#185;           > 28 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B9F257F970, 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 0x000002B9F2586010, 16 bytes long.
 Data: < nX&#242;&#185;           > 00 6E 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B9F257F610, 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 0x000002B9F2586240, 16 bytes long.
 Data: <HmX&#242;&#185;           > 48 6D 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B9F25867E0, 16 bytes long.
 Data: < mX&#242;&#185;           > 20 6D 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B9F2586A60, 16 bytes long.
 Data: <&#248;lX&#242;&#185;           > F8 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B9F2586BA0, 16 bytes long.
 Data: <&#208;lX&#242;&#185;           > D0 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B9F2586420, 16 bytes long.
 Data: <&#168;lX&#242;&#185;           > A8 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B9F25869C0, 16 bytes long.
 Data: < lX&#242;&#185;           > 80 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B9F2586150, 16 bytes long.
 Data: <0TX&#242;&#185;           > 30 54 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B9F2585430, 40 bytes long.
 Data: <PaX&#242;&#185;   @[>&#244;&#185;   > 50 61 58 F2 B9 02 00 00 40 5B 3E F4 B9 02 00 00 
{262} normal block at 0x000002B9F2585ED0, 16 bytes long.
 Data: <`lX&#242;&#185;           > 60 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B9F2586B00, 16 bytes long.
 Data: <8lX&#242;&#185;           > 38 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B9F257F8B0, 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 0x000002B9F2585DE0, 16 bytes long.
 Data: < lX&#242;&#185;           > 10 6C 58 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B9F2586C10, 992 bytes long.
 Data: <&#224;]X&#242;&#185;   &#176;&#248;W&#242;&#185;   > E0 5D 58 F2 B9 02 00 00 B0 F8 57 F2 B9 02 00 00 
{94} normal block at 0x000002B9F257F790, 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 0x000002B9F257E130, 16 bytes long.
 Data: < &#229;V&#242;&#185;           > 90 E5 56 F2 B9 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002B9F256E590, 40 bytes long.
 Data: <0&#225;W&#242;&#185;    &#247;W&#242;&#185;   > 30 E1 57 F2 B9 02 00 00 90 F7 57 F2 B9 02 00 00 
{71} normal block at 0x000002B9F257E1D0, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B9F257DFF0, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B9F257E5E0, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B9F257DCD0, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B9F257DB40, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B9F257D870, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B9F257D780, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B9F257DF50, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B9F257E040, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B9F257DFA0, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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