Task 38656351

Name test_202-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8912_0
Workunit 31600084
Created 24 Oct 2026, 10:32:37 UTC
Sent 24 Oct 2026, 10:34:43 UTC
Report deadline 29 Oct 2026, 10:34:43 UTC
Received 24 Oct 2026, 11:29:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 18 min 25 sec
CPU time 16 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.28 MB
Peak swap size 5.42 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:11:10 (15720): wrapper (7.9.26016): starting
12:11:10 (15720): 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
12:11:11 (15720): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:11:11 (15720): 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
12:28:39 (15720): C:/Windows/system32/cmd.exe exited; CPU time 1015.296875
12:28:39 (15720): 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: 15536477 bytes.
Dumping objects ->
{3835235} normal block at 0x000002196C034A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002196C034990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000002196C034C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000002196C034920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002196C034A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000002196DDBF100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002196DDCEC70, 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) : {3835146} normal block at 0x000002196C02A030, 8 bytes long.
 Data: <  Ul    > 00 00 55 6C 19 02 00 00 
{3834547} normal block at 0x000002196DDCE9B0, 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 0x000002196C02A7B0, 8 bytes long.
 Data: < 6&#225;m    > 80 36 E1 6D 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002196C030A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002196C025BF0, 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 0x000002196C035B90, 16 bytes long.
 Data: < a l            > 08 61 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002196C035000, 16 bytes long.
 Data: <&#224;` l            > E0 60 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002196C02DD70, 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 0x000002196C035500, 16 bytes long.
 Data: <&#184;` l            > B8 60 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002196C035C80, 16 bytes long.
 Data: < ` l            > 90 60 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002196C035960, 16 bytes long.
 Data: <h` l            > 68 60 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002196C034FB0, 16 bytes long.
 Data: <@` l            > 40 60 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002196C034B50, 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 0x000002196C0350F0, 16 bytes long.
 Data: <&#168;D l            > A8 44 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002196C02DD10, 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 0x000002196C035A00, 16 bytes long.
 Data: < D l            > 80 44 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002196C035820, 16 bytes long.
 Data: <XD l            > 58 44 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002196C0356E0, 16 bytes long.
 Data: <0D l            > 30 44 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002196C035460, 16 bytes long.
 Data: < D l            > 08 44 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002196C034F60, 16 bytes long.
 Data: <&#224;C l            > E0 43 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002196C0350A0, 16 bytes long.
 Data: <&#184;C l            > B8 43 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002196C02E790, 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 0x000002196C035640, 16 bytes long.
 Data: < C l            > 90 43 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002196C034390, 320 bytes long.
 Data: <@V l     &#231; l    > 40 56 03 6C 19 02 00 00 90 E7 02 6C 19 02 00 00 
{280} normal block at 0x000002196C035910, 16 bytes long.
 Data: < ` l            > 20 60 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002196C035D70, 16 bytes long.
 Data: <&#248;_ l            > F8 5F 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002196C02EA90, 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 0x000002196C035BE0, 16 bytes long.
 Data: <&#208;_ l            > D0 5F 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002196C02E130, 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 0x000002196C0357D0, 16 bytes long.
 Data: < _ l            > 18 5F 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002196C034EC0, 16 bytes long.
 Data: <&#240;^ l            > F0 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002196C0351E0, 16 bytes long.
 Data: <&#200;^ l            > C8 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002196C0358C0, 16 bytes long.
 Data: <&#160;^ l            > A0 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002196C035D20, 16 bytes long.
 Data: <x^ l            > 78 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002196C0354B0, 16 bytes long.
 Data: <P^ l            > 50 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002196C0355F0, 16 bytes long.
 Data: <&#160;L l            > A0 4C 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002196C034CA0, 40 bytes long.
 Data: <&#240;U l     &#241;&#219;m    > F0 55 03 6C 19 02 00 00 00 F1 DB 6D 19 02 00 00 
{266} normal block at 0x000002196C034E20, 16 bytes long.
 Data: <0^ l            > 30 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002196C034E70, 16 bytes long.
 Data: < ^ l            > 08 5E 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002196C02E4F0, 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 0x000002196C035280, 16 bytes long.
 Data: <&#224;] l            > E0 5D 03 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002196C035DE0, 992 bytes long.
 Data: < R l    &#240;&#228; l    > 80 52 03 6C 19 02 00 00 F0 E4 02 6C 19 02 00 00 
{98} normal block at 0x000002196C02E5B0, 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 0x000002196C029E50, 16 bytes long.
 Data: <P&#214; l            > 50 D6 01 6C 19 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002196C01D650, 40 bytes long.
 Data: <P&#158; l    &#176;&#229; l    > 50 9E 02 6C 19 02 00 00 B0 E5 02 6C 19 02 00 00 
{75} normal block at 0x000002196C02A760, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002196C02A9E0, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002196C029E00, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002196C02A350, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002196C02A1C0, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002196C02A940, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002196C02A3A0, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002196C029BD0, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002196C029FE0, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002196C02A260, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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