Task 38688962

Name test_512-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7473_0
Workunit 31630252
Created 28 Oct 2026, 17:15:29 UTC
Sent 28 Oct 2026, 17:15:35 UTC
Report deadline 2 Nov 2026, 17:15:35 UTC
Received 28 Oct 2026, 18:13:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 19 min 13 sec
CPU time 18 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.98 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:54:32 (34048): wrapper (7.9.26016): starting
12:54:32 (34048): 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
12:54:33 (34048): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:54:33 (34048): 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
13:12:58 (34048): C:/Windows/system32/cmd.exe exited; CPU time 1097.734375
13:12:58 (34048): 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: 28534843 bytes.
Dumping objects ->
{3835236} normal block at 0x000001C7AF331250, 48 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 0x000001C7AF3307D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001C7AF330C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000001C7AF3308B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001C7AF3316B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000001C7AF428B30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001C7AF43FC40, 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) : {3835147} normal block at 0x000001C7AD6DDF50, 8 bytes long.
 Data: <  &#197;&#173;&#199;   > 00 00 C5 AD C7 01 00 00 
{3834547} normal block at 0x000001C7AF43F350, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001C7AD6DD820, 8 bytes long.
 Data: <&#160;&#177;p&#173;&#199;   > A0 B1 70 AD C7 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001C7AD6E23D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001C7AD6CF030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001C7AD6E6340, 16 bytes long.
 Data: <Xnn&#173;&#199;           > 58 6E 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C7AD6E5D00, 16 bytes long.
 Data: <0nn&#173;&#199;           > 30 6E 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C7AD6DF630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001C7AD6E63E0, 16 bytes long.
 Data: < nn&#173;&#199;           > 08 6E 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C7AD6E6250, 16 bytes long.
 Data: <&#224;mn&#173;&#199;           > E0 6D 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C7AD6E6390, 16 bytes long.
 Data: <&#184;mn&#173;&#199;           > B8 6D 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C7AD6E6200, 16 bytes long.
 Data: < mn&#173;&#199;           > 90 6D 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C7AD6E0710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001C7AD6E6160, 16 bytes long.
 Data: <X&#147;m&#173;&#199;           > 58 93 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C7AD6DF510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001C7AD6E5CB0, 16 bytes long.
 Data: <0&#147;m&#173;&#199;           > 30 93 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C7AD6E6A70, 16 bytes long.
 Data: < &#147;m&#173;&#199;           > 08 93 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C7AD6E5E40, 16 bytes long.
 Data: <&#224;&#146;m&#173;&#199;           > E0 92 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C7AD6E6980, 16 bytes long.
 Data: <&#184;&#146;m&#173;&#199;           > B8 92 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C7AD6E5DF0, 16 bytes long.
 Data: < &#146;m&#173;&#199;           > 90 92 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C7AD6E6110, 16 bytes long.
 Data: <h&#146;m&#173;&#199;           > 68 92 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C7AD6DFB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001C7AD6E5BC0, 16 bytes long.
 Data: <@&#146;m&#173;&#199;           > 40 92 6D AD C7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C7AD6D9240, 320 bytes long.
 Data: <&#192;[n&#173;&#199;    &#251;m&#173;&#199;   > C0 5B 6E AD C7 01 00 00 10 FB 6D AD C7 01 00 00 
{280} normal block at 0x000001C7AD6E67A0, 16 bytes long.
 Data: <pmn&#173;&#199;           > 70 6D 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C7AD6E6930, 16 bytes long.
 Data: <Hmn&#173;&#199;           > 48 6D 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C7AD6DFFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001C7AD6E6700, 16 bytes long.
 Data: < mn&#173;&#199;           > 20 6D 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C7AD6E0170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001C7AD6E6070, 16 bytes long.
 Data: <hln&#173;&#199;           > 68 6C 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C7AD6E5FD0, 16 bytes long.
 Data: <@ln&#173;&#199;           > 40 6C 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C7AD6E5C60, 16 bytes long.
 Data: < ln&#173;&#199;           > 18 6C 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C7AD6E5C10, 16 bytes long.
 Data: <&#240;kn&#173;&#199;           > F0 6B 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C7AD6E5F80, 16 bytes long.
 Data: <&#200;kn&#173;&#199;           > C8 6B 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C7AD6E5DA0, 16 bytes long.
 Data: <&#160;kn&#173;&#199;           > A0 6B 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C7AD6E68E0, 16 bytes long.
 Data: <0 n&#173;&#199;           > 30 06 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C7AD6E0630, 40 bytes long.
 Data: <&#224;hn&#173;&#199;   0&#139;B&#175;&#199;   > E0 68 6E AD C7 01 00 00 30 8B 42 AF C7 01 00 00 
{266} normal block at 0x000001C7AD6E5D50, 16 bytes long.
 Data: < kn&#173;&#199;           > 80 6B 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C7AD6E60C0, 16 bytes long.
 Data: <Xkn&#173;&#199;           > 58 6B 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C7AD6DF7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001C7AD6E6A20, 16 bytes long.
 Data: <0kn&#173;&#199;           > 30 6B 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C7AD6E6B30, 992 bytes long.
 Data: < jn&#173;&#199;   &#176;&#247;m&#173;&#199;   > 20 6A 6E AD C7 01 00 00 B0 F7 6D AD C7 01 00 00 
{98} normal block at 0x000001C7AD6DF990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001C7AD6DD7D0, 16 bytes long.
 Data: <&#160; n&#173;&#199;           > A0 06 6E AD C7 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001C7AD6E06A0, 40 bytes long.
 Data: <&#208;&#215;m&#173;&#199;    &#249;m&#173;&#199;   > D0 D7 6D AD C7 01 00 00 90 F9 6D AD C7 01 00 00 
{75} normal block at 0x000001C7AD6DD500, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C7AD6DE0E0, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C7AD6DE270, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C7AD6DE130, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C7AD6DE040, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C7AD6DE220, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C7AD6DD910, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C7AD6DD8C0, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C7AD6DD5F0, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C7AD6DD550, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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