Task 38686392

Name test_406-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8261_0
Workunit 31627825
Created 28 Oct 2026, 2:15:26 UTC
Sent 28 Oct 2026, 2:15:35 UTC
Report deadline 2 Nov 2026, 2:15:35 UTC
Received 28 Oct 2026, 2:37:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629402
Run time 21 min 15 sec
CPU time 19 min 36 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 753.36 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:16:29 (43532): wrapper (7.9.26016): starting
21:16:29 (43532): 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
21:16:30 (43532): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:16:30 (43532): 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\31\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\31\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
21:36:59 (43532): C:/Windows/system32/cmd.exe exited; CPU time 1176.328125
21:36:59 (43532): 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: 22231937 bytes.
Dumping objects ->
{3835311} normal block at 0x0000014E481ACFC0, 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 0x0000014E481AD1F0, 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 0x0000014E481AD260, 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 0x0000014E46404A90, 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 0x0000014E46404A20, 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 0x0000014E481F8650, 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 0x0000014E4820EBB0, 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 0x0000014E46401330, 8 bytes long.
 Data: <  &#172;FN   > 00 00 AC 46 4E 01 00 00 
{3834575} normal block at 0x0000014E4820EB00, 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 0x0000014E46400F70, 8 bytes long.
 Data: <PB%HN   > 50 42 25 48 4E 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000014E463F6B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014E463F77D0, 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 0x0000014E46406140, 16 bytes long.
 Data: <&#248;U@FN           > F8 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014E464062D0, 16 bytes long.
 Data: <&#208;U@FN           > D0 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014E463FFCC0, 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 0x0000014E464060F0, 16 bytes long.
 Data: <&#168;U@FN           > A8 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014E46406190, 16 bytes long.
 Data: < U@FN           > 80 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014E46405F60, 16 bytes long.
 Data: <XU@FN           > 58 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014E46405EC0, 16 bytes long.
 Data: <0U@FN           > 30 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014E46404C50, 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 0x0000014E46405B50, 16 bytes long.
 Data: <&#248;&#184;>FN           > F8 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014E463FFC60, 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 0x0000014E46406280, 16 bytes long.
 Data: <&#208;&#184;>FN           > D0 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014E46405E70, 16 bytes long.
 Data: <&#168;&#184;>FN           > A8 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014E46405CE0, 16 bytes long.
 Data: < &#184;>FN           > 80 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014E46405DD0, 16 bytes long.
 Data: <X&#184;>FN           > 58 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014E46406230, 16 bytes long.
 Data: <0&#184;>FN           > 30 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014E464057E0, 16 bytes long.
 Data: < &#184;>FN           > 08 B8 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014E46400260, 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 0x0000014E464061E0, 16 bytes long.
 Data: <&#224;&#183;>FN           > E0 B7 3E 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014E463EB7E0, 320 bytes long.
 Data: <&#224;a@FN   ` @FN   > E0 61 40 46 4E 01 00 00 60 02 40 46 4E 01 00 00 
{276} normal block at 0x0000014E46405FB0, 16 bytes long.
 Data: < U@FN           > 10 55 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014E46405A10, 16 bytes long.
 Data: <&#232;T@FN           > E8 54 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014E46400440, 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 0x0000014E46405E20, 16 bytes long.
 Data: <&#192;T@FN           > C0 54 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014E464003E0, 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 0x0000014E46406000, 16 bytes long.
 Data: < T@FN           > 08 54 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014E46405F10, 16 bytes long.
 Data: <&#224;S@FN           > E0 53 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014E464060A0, 16 bytes long.
 Data: <&#184;S@FN           > B8 53 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014E46405790, 16 bytes long.
 Data: < S@FN           > 90 53 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014E46406550, 16 bytes long.
 Data: <hS@FN           > 68 53 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014E46401560, 16 bytes long.
 Data: <@S@FN           > 40 53 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014E464012E0, 16 bytes long.
 Data: <&#224;K@FN           > E0 4B 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014E46404BE0, 40 bytes long.
 Data: <&#224; @FN   P&#134; HN   > E0 12 40 46 4E 01 00 00 50 86 1F 48 4E 01 00 00 
{262} normal block at 0x0000014E46401290, 16 bytes long.
 Data: < S@FN           > 20 53 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014E46401100, 16 bytes long.
 Data: <&#248;R@FN           > F8 52 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014E46400500, 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 0x0000014E46400FC0, 16 bytes long.
 Data: <&#208;R@FN           > D0 52 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014E464052D0, 992 bytes long.
 Data: <&#192; @FN     @FN   > C0 0F 40 46 4E 01 00 00 00 05 40 46 4E 01 00 00 
{94} normal block at 0x0000014E464001A0, 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 0x0000014E46401240, 16 bytes long.
 Data: < K@FN           > 00 4B 40 46 4E 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000014E46404B00, 40 bytes long.
 Data: <@ @FN   &#160; @FN   > 40 12 40 46 4E 01 00 00 A0 01 40 46 4E 01 00 00 
{71} normal block at 0x0000014E46400A70, 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 0x0000014E46400B60, 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 0x0000014E46400D90, 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 0x0000014E464015B0, 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 0x0000014E46400930, 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 0x0000014E46400D40, 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 0x0000014E46401510, 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 0x0000014E46400BB0, 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 0x0000014E46400E30, 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 0x0000014E464016F0, 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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