Task 38645527

Name test_154-GPUGRID_TEST_ATM_500_20261023-0-1-RND7303_0
Workunit 31590491
Created 23 Oct 2026, 16:05:37 UTC
Sent 23 Oct 2026, 16:26:31 UTC
Report deadline 28 Oct 2026, 16:26:31 UTC
Received 23 Oct 2026, 17:18:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 51 min 3 sec
CPU time 49 min 26 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.86 MB
Peak swap size 6.89 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:27:59 (28008): wrapper (7.9.26016): starting
18:27:59 (28008): 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
18:28:01 (28008): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:28:01 (28008): 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\11\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\11\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
19:17:42 (28008): C:/Windows/system32/cmd.exe exited; CPU time 2966.406250
19:17:42 (28008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 49873865 bytes.
Dumping objects ->
{3835638} normal block at 0x000002599B800590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x000002599B8008A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x000002599B8000C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x000002599B7FFC60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x000002599B7FFBF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x000002599D3DBA40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000002599B7D14F0, 200 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) : {3835549} normal block at 0x000002599B7D0D70, 8 bytes long.
 Data: <  &#183;&#155;Y   > 00 00 B7 9B 59 02 00 00 
{3834745} normal block at 0x000002599B7D13E0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002599B7D06E0, 8 bytes long.
 Data: < &#229;)&#157;Y   > 20 E5 29 9D 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002599B7CD450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002599B7C63F0, 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 0x000002599B7DC690, 16 bytes long.
 Data: <&#216;&#216;}&#155;Y           > D8 D8 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002599B7DC640, 16 bytes long.
 Data: <&#176;&#216;}&#155;Y           > B0 D8 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002599B7D44F0, 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 0x000002599B7DD0E0, 16 bytes long.
 Data: < &#216;}&#155;Y           > 88 D8 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002599B7DC9B0, 16 bytes long.
 Data: <`&#216;}&#155;Y           > 60 D8 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002599B7DD4F0, 16 bytes long.
 Data: <8&#216;}&#155;Y           > 38 D8 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002599B7DC910, 16 bytes long.
 Data: < &#216;}&#155;Y           > 10 D8 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002599B7D6350, 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 0x000002599B7DD040, 16 bytes long.
 Data: < C|&#155;Y           > 98 43 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002599B7D47F0, 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 0x000002599B7DD2C0, 16 bytes long.
 Data: <pC|&#155;Y           > 70 43 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002599B7DCFA0, 16 bytes long.
 Data: <HC|&#155;Y           > 48 43 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002599B7DD1D0, 16 bytes long.
 Data: < C|&#155;Y           > 20 43 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002599B7DCA50, 16 bytes long.
 Data: <&#248;B|&#155;Y           > F8 42 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002599B7DCFF0, 16 bytes long.
 Data: <&#208;B|&#155;Y           > D0 42 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002599B7DD450, 16 bytes long.
 Data: <&#168;B|&#155;Y           > A8 42 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002599B7D4490, 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 0x000002599B7DCE10, 16 bytes long.
 Data: < B|&#155;Y           > 80 42 7C 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002599B7C4280, 320 bytes long.
 Data: < &#206;}&#155;Y    D}&#155;Y   > 10 CE 7D 9B 59 02 00 00 90 44 7D 9B 59 02 00 00 
{279} normal block at 0x000002599B7DCA00, 16 bytes long.
 Data: <&#240;&#215;}&#155;Y           > F0 D7 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002599B7DCC80, 16 bytes long.
 Data: <&#200;&#215;}&#155;Y           > C8 D7 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002599B7D5150, 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 0x000002599B7DCDC0, 16 bytes long.
 Data: <&#160;&#215;}&#155;Y           > A0 D7 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002599B7D52D0, 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 0x000002599B7DC730, 16 bytes long.
 Data: <&#232;&#214;}&#155;Y           > E8 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002599B7DC8C0, 16 bytes long.
 Data: <&#192;&#214;}&#155;Y           > C0 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002599B7DCBE0, 16 bytes long.
 Data: < &#214;}&#155;Y           > 98 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002599B7DCAA0, 16 bytes long.
 Data: <p&#214;}&#155;Y           > 70 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002599B7DCB90, 16 bytes long.
 Data: <H&#214;}&#155;Y           > 48 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002599B7DD540, 16 bytes long.
 Data: < &#214;}&#155;Y           > 20 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002599B7DC960, 16 bytes long.
 Data: <&#224;i}&#155;Y           > E0 69 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002599B7D69E0, 40 bytes long.
 Data: <`&#201;}&#155;Y   @&#186;=&#157;Y   > 60 C9 7D 9B 59 02 00 00 40 BA 3D 9D 59 02 00 00 
{265} normal block at 0x000002599B7DC6E0, 16 bytes long.
 Data: < &#214;}&#155;Y           > 00 D6 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002599B7DD090, 16 bytes long.
 Data: <&#216;&#213;}&#155;Y           > D8 D5 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002599B7D51B0, 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 0x000002599B7DC5F0, 16 bytes long.
 Data: <&#176;&#213;}&#155;Y           > B0 D5 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002599B7DD5B0, 992 bytes long.
 Data: <&#240;&#197;}&#155;Y   &#176;Q}&#155;Y   > F0 C5 7D 9B 59 02 00 00 B0 51 7D 9B 59 02 00 00 
{97} normal block at 0x000002599B7D4FD0, 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 0x000002599B7D0550, 16 bytes long.
 Data: <&#192;c}&#155;Y           > C0 63 7D 9B 59 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002599B7D63C0, 40 bytes long.
 Data: <P }&#155;Y   &#208;O}&#155;Y   > 50 05 7D 9B 59 02 00 00 D0 4F 7D 9B 59 02 00 00 
{74} normal block at 0x000002599B7D0320, 16 bytes long.
 Data: < &#234;&#223;o&#247;           > 80 EA DF 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002599B7D0870, 16 bytes long.
 Data: <@&#233;&#223;o&#247;           > 40 E9 DF 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002599B7D05F0, 16 bytes long.
 Data: <&#248;W&#220;o&#247;           > F8 57 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002599B7D02D0, 16 bytes long.
 Data: <&#216;W&#220;o&#247;           > D8 57 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002599B7D0AA0, 16 bytes long.
 Data: <P &#220;o&#247;           > 50 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002599B7D0E10, 16 bytes long.
 Data: <0 &#220;o&#247;           > 30 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002599B7D0780, 16 bytes long.
 Data: <&#224; &#220;o&#247;           > E0 02 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002599B7D0460, 16 bytes long.
 Data: <  &#220;o&#247;           > 10 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002599B7D0640, 16 bytes long.
 Data: <p &#220;o&#247;           > 70 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002599B7D05A0, 16 bytes long.
 Data: < &#192;&#218;o&#247;           > 18 C0 DA 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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