Task 38668577

Name test_821-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6755_0
Workunit 31611064
Created 25 Oct 2026, 12:10:07 UTC
Sent 25 Oct 2026, 12:10:12 UTC
Report deadline 30 Oct 2026, 12:10:12 UTC
Received 25 Oct 2026, 12:31:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627928
Run time 19 min 23 sec
CPU time 19 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.56 MB
Peak swap size 13.14 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:11:17 (23864): wrapper (7.9.26016): starting
13:11:17 (23864): 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
13:11:18 (23864): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:11:18 (23864): 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\32\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\32\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
13:30:49 (23864): C:/Windows/system32/cmd.exe exited; CPU time 1163.937500
13:30:49 (23864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 21406267 bytes.
Dumping objects ->
{3835219} normal block at 0x000002451C3E41C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002451C3B53D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002451C3B59F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000002451C3B5910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002451C3B58A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000002451E1C9E40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835131} normal block at 0x000002451C3B0750, 8 bytes long.
 Data: <  &#154; E   > 00 00 9A 1C 45 02 00 00 
{3833967} normal block at 0x000002451C3B0890, 8 bytes long.
 Data: <P5> E   > 50 35 3E 1C 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002451C3B2610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002451C3A73F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002451C3B6C10, 16 bytes long.
 Data: <&#200;r; E           > C8 72 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002451C3B65D0, 16 bytes long.
 Data: <&#160;r; E           > A0 72 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002451C3AD9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002451C3B6080, 16 bytes long.
 Data: <xr; E           > 78 72 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002451C3B6B20, 16 bytes long.
 Data: <Pr; E           > 50 72 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002451C3B6120, 16 bytes long.
 Data: <(r; E           > 28 72 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002451C3B6B70, 16 bytes long.
 Data: < r; E           > 00 72 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002451C3B5600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002451C3B6490, 16 bytes long.
 Data: <&#248;&#249;9 E           > F8 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002451C3AE370, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002451C3B6A30, 16 bytes long.
 Data: <&#208;&#249;9 E           > D0 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002451C3B6D50, 16 bytes long.
 Data: <&#168;&#249;9 E           > A8 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002451C3B6620, 16 bytes long.
 Data: < &#249;9 E           > 80 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002451C3B6530, 16 bytes long.
 Data: <X&#249;9 E           > 58 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002451C3B6350, 16 bytes long.
 Data: <0&#249;9 E           > 30 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002451C3B6C60, 16 bytes long.
 Data: < &#249;9 E           > 08 F9 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002451C3AE730, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002451C3B6300, 16 bytes long.
 Data: <&#224;&#248;9 E           > E0 F8 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002451C39F8E0, 320 bytes long.
 Data: < c; E   0&#231;: E   > 00 63 3B 1C 45 02 00 00 30 E7 3A 1C 45 02 00 00 
{279} normal block at 0x000002451C3B69E0, 16 bytes long.
 Data: <&#224;q; E           > E0 71 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002451C3B6440, 16 bytes long.
 Data: <&#184;q; E           > B8 71 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002451C3AE190, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002451C3B6030, 16 bytes long.
 Data: < q; E           > 90 71 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002451C3AE4F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002451C3B6990, 16 bytes long.
 Data: <&#216;p; E           > D8 70 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002451C3B6670, 16 bytes long.
 Data: <&#176;p; E           > B0 70 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002451C3B66C0, 16 bytes long.
 Data: < p; E           > 88 70 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002451C3B64E0, 16 bytes long.
 Data: <`p; E           > 60 70 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002451C3B6170, 16 bytes long.
 Data: <8p; E           > 38 70 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002451C3B6BC0, 16 bytes long.
 Data: < p; E           > 10 70 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002451C3B6D00, 16 bytes long.
 Data: <pV; E           > 70 56 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002451C3B5670, 40 bytes long.
 Data: < m; E   @&#158;  E   > 00 6D 3B 1C 45 02 00 00 40 9E 1C 1E 45 02 00 00 
{265} normal block at 0x000002451C3B6850, 16 bytes long.
 Data: <&#240;o; E           > F0 6F 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002451C3B6210, 16 bytes long.
 Data: <&#200;o; E           > C8 6F 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002451C3ADBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002451C3B62B0, 16 bytes long.
 Data: <&#160;o; E           > A0 6F 3B 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002451C3B6FA0, 992 bytes long.
 Data: <&#176;b; E   &#240;&#219;: E   > B0 62 3B 1C 45 02 00 00 F0 DB 3A 1C 45 02 00 00 
{97} normal block at 0x000002451C3ADB30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002451C3AFC60, 16 bytes long.
 Data: < &#231;9 E           > 00 E7 39 1C 45 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002451C39E700, 40 bytes long.
 Data: <`&#252;: E   0&#219;: E   > 60 FC 3A 1C 45 02 00 00 30 DB 3A 1C 45 02 00 00 
{74} normal block at 0x000002451C3AFA80, 16 bytes long.
 Data: < &#234;\&#209;&#246;           > 80 EA 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002451C3B04D0, 16 bytes long.
 Data: <@&#233;\&#209;&#246;           > 40 E9 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002451C3AFE40, 16 bytes long.
 Data: <&#248;WY&#209;&#246;           > F8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002451C3AFDA0, 16 bytes long.
 Data: <&#216;WY&#209;&#246;           > D8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002451C3B0340, 16 bytes long.
 Data: <P Y&#209;&#246;           > 50 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002451C3B0390, 16 bytes long.
 Data: <0 Y&#209;&#246;           > 30 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002451C3B07F0, 16 bytes long.
 Data: <&#224; Y&#209;&#246;           > E0 02 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002451C3B06B0, 16 bytes long.
 Data: <  Y&#209;&#246;           > 10 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002451C3AFF80, 16 bytes long.
 Data: <p Y&#209;&#246;           > 70 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002451C3AFEE0, 16 bytes long.
 Data: < &#192;W&#209;&#246;           > 18 C0 57 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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