Task 38678423

Name test_215-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1937_0
Workunit 31620242
Created 26 Oct 2026, 17:21:29 UTC
Sent 26 Oct 2026, 17:21:31 UTC
Report deadline 31 Oct 2026, 17:21:31 UTC
Received 26 Oct 2026, 18:01:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 20 sec
CPU time 16 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 815.18 MB
Peak swap size 10.10 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:41:58 (9256): wrapper (7.9.26016): starting
18:41:58 (9256): 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
18:41:59 (9256): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:41:59 (9256): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
19:01:36 (9256): C:/Windows/system32/cmd.exe exited; CPU time 983.781250
19:01:36 (9256): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 26888100 bytes.
Dumping objects ->
{3835471} normal block at 0x000001EC5298A5C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001EC5298A0F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x000001EC50CA4BF0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x000001EC50CA4B10, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000001EC50CA4B80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x000001EC529768A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000001EC5298CFC0, 85 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) : {3835382} normal block at 0x000001EC50C9E2A0, 8 bytes long.
 Data: <  &#199;P&#236;   > 00 00 C7 50 EC 01 00 00 
{3834663} normal block at 0x000001EC5298D1A0, 85 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 0x000001EC50C9DCB0, 8 bytes long.
 Data: <&#224;C R&#236;   > E0 43 9D 52 EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001EC50CA1340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001EC50C95FB0, 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 0x000001EC50CA5670, 16 bytes long.
 Data: <&#184;h&#202;P&#236;           > B8 68 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EC50CA6390, 16 bytes long.
 Data: < h&#202;P&#236;           > 90 68 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EC50C9F570, 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 0x000001EC50CA5B70, 16 bytes long.
 Data: <hh&#202;P&#236;           > 68 68 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EC50CA5E90, 16 bytes long.
 Data: <@h&#202;P&#236;           > 40 68 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EC50CA5FD0, 16 bytes long.
 Data: < h&#202;P&#236;           > 18 68 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EC50CA5F30, 16 bytes long.
 Data: <&#240;g&#202;P&#236;           > F0 67 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EC50CA4F70, 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 0x000001EC50CA64D0, 16 bytes long.
 Data: <8&#147;&#201;P&#236;           > 38 93 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC50C9F330, 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 0x000001EC50CA5E40, 16 bytes long.
 Data: < &#147;&#201;P&#236;           > 10 93 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC50CA56C0, 16 bytes long.
 Data: <&#232;&#146;&#201;P&#236;           > E8 92 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EC50CA5C10, 16 bytes long.
 Data: <&#192;&#146;&#201;P&#236;           > C0 92 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EC50CA61B0, 16 bytes long.
 Data: < &#146;&#201;P&#236;           > 98 92 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EC50CA5620, 16 bytes long.
 Data: <p&#146;&#201;P&#236;           > 70 92 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EC50CA6340, 16 bytes long.
 Data: <H&#146;&#201;P&#236;           > 48 92 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EC50C9F030, 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 0x000001EC50CA6480, 16 bytes long.
 Data: < &#146;&#201;P&#236;           > 20 92 C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC50C99220, 320 bytes long.
 Data: < d&#202;P&#236;   0&#240;&#201;P&#236;   > 80 64 CA 50 EC 01 00 00 30 F0 C9 50 EC 01 00 00 
{280} normal block at 0x000001EC50CA5710, 16 bytes long.
 Data: <&#208;g&#202;P&#236;           > D0 67 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EC50CA5A80, 16 bytes long.
 Data: <&#168;g&#202;P&#236;           > A8 67 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC50C9F4B0, 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 0x000001EC50CA5DF0, 16 bytes long.
 Data: < g&#202;P&#236;           > 80 67 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC50C9EEB0, 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 0x000001EC50CA6160, 16 bytes long.
 Data: <&#200;f&#202;P&#236;           > C8 66 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EC50CA6520, 16 bytes long.
 Data: <&#160;f&#202;P&#236;           > A0 66 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EC50CA58A0, 16 bytes long.
 Data: <xf&#202;P&#236;           > 78 66 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EC50CA6110, 16 bytes long.
 Data: <Pf&#202;P&#236;           > 50 66 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC50CA59E0, 16 bytes long.
 Data: <(f&#202;P&#236;           > 28 66 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EC50CA5D00, 16 bytes long.
 Data: < f&#202;P&#236;           > 00 66 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EC50CA55D0, 16 bytes long.
 Data: <&#192;I&#202;P&#236;           > C0 49 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC50CA49C0, 40 bytes long.
 Data: <&#208;U&#202;P&#236;   &#160;h&#151;R&#236;   > D0 55 CA 50 EC 01 00 00 A0 68 97 52 EC 01 00 00 
{266} normal block at 0x000001EC50CA5A30, 16 bytes long.
 Data: <&#224;e&#202;P&#236;           > E0 65 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC50CA60C0, 16 bytes long.
 Data: <&#184;e&#202;P&#236;           > B8 65 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC50C9F090, 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 0x000001EC50CA5990, 16 bytes long.
 Data: < e&#202;P&#236;           > 90 65 CA 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EC50CA6590, 992 bytes long.
 Data: < Y&#202;P&#236;    &#240;&#201;P&#236;   > 90 59 CA 50 EC 01 00 00 90 F0 C9 50 EC 01 00 00 
{98} normal block at 0x000001EC50C9F690, 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 0x000001EC50C9E0C0, 16 bytes long.
 Data: <&#224;&#236;&#201;P&#236;           > E0 EC C9 50 EC 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001EC50C9ECE0, 40 bytes long.
 Data: <&#192;&#224;&#201;P&#236;    &#246;&#201;P&#236;   > C0 E0 C9 50 EC 01 00 00 90 F6 C9 50 EC 01 00 00 
{75} normal block at 0x000001EC50C9E110, 16 bytes long.
 Data: < &#234;j &#246;           > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EC50C9DDA0, 16 bytes long.
 Data: <@&#233;j &#246;           > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EC50C9D760, 16 bytes long.
 Data: <&#248;Wg &#246;           > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EC50C9D9E0, 16 bytes long.
 Data: <&#216;Wg &#246;           > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EC50C9D990, 16 bytes long.
 Data: <P g &#246;           > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EC50C9E200, 16 bytes long.
 Data: <0 g &#246;           > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EC50C9E340, 16 bytes long.
 Data: <&#224; g &#246;           > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EC50C9D530, 16 bytes long.
 Data: <  g &#246;           > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EC50C9E2F0, 16 bytes long.
 Data: <p g &#246;           > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC50C9E160, 16 bytes long.
 Data: < &#192;e &#246;           > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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