Task 38682670

Name test_774-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2246_0
Workunit 31624267
Created 27 Oct 2026, 8:35:50 UTC
Sent 27 Oct 2026, 8:35:55 UTC
Report deadline 1 Nov 2026, 8:35:55 UTC
Received 27 Oct 2026, 8:59:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 22 min 38 sec
CPU time 21 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.99 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:37:14 (49240): wrapper (7.9.26016): starting
01:37:14 (49240): 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
01:37:15 (49240): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:37:15 (49240): 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\1\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\1\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
01:58:55 (49240): C:/Windows/system32/cmd.exe exited; CPU time 1277.125000
01:58:55 (49240): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 24280853 bytes.
Dumping objects ->
{3835219} normal block at 0x000001CB1EDF5450, 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 0x000001CB1EDF53E0, 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 0x000001CB1EDF5220, 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 0x000001CB1EDF55A0, 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 0x000001CB1EDF5610, 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 0x000001CB209B5C90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001CB1EE3E690, 140 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) : {3835130} normal block at 0x000001CB1EDEF430, 8 bytes long.
 Data: <  &#173; &#203;   > 00 00 AD 20 CB 01 00 00 
{3834533} normal block at 0x000001CB1EE3E760, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001CB1EDEF610, 8 bytes long.
 Data: <&#160;&#231;&#221; &#203;   > A0 E7 DD 1E CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001CB1EDF12E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CB1EDE6EA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001CB1EDF5E60, 16 bytes long.
 Data: <xn&#223; &#203;           > 78 6E DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CB1EDF5E10, 16 bytes long.
 Data: <Pn&#223; &#203;           > 50 6E DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CB1EDF0170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001CB1EDF6590, 16 bytes long.
 Data: <(n&#223; &#203;           > 28 6E DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB1EDF6630, 16 bytes long.
 Data: < n&#223; &#203;           > 00 6E DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB1EDF5DC0, 16 bytes long.
 Data: <&#216;m&#223; &#203;           > D8 6D DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CB1EDF6720, 16 bytes long.
 Data: <&#176;m&#223; &#203;           > B0 6D DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB1EDF5060, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001CB1EDF64F0, 16 bytes long.
 Data: <&#216;&#241;&#221; &#203;           > D8 F1 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CB1EDF0AD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001CB1EDF5D70, 16 bytes long.
 Data: <&#176;&#241;&#221; &#203;           > B0 F1 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB1EDF6310, 16 bytes long.
 Data: < &#241;&#221; &#203;           > 88 F1 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CB1EDF6400, 16 bytes long.
 Data: <`&#241;&#221; &#203;           > 60 F1 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CB1EDF62C0, 16 bytes long.
 Data: <8&#241;&#221; &#203;           > 38 F1 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB1EDF6360, 16 bytes long.
 Data: < &#241;&#221; &#203;           > 10 F1 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CB1EDF64A0, 16 bytes long.
 Data: <&#232;&#240;&#221; &#203;           > E8 F0 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB1EDF0110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001CB1EDF5CD0, 16 bytes long.
 Data: <&#192;&#240;&#221; &#203;           > C0 F0 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB1EDDF0C0, 320 bytes long.
 Data: <&#208;\&#223; &#203;     &#223; &#203;   > D0 5C DF 1E CB 01 00 00 10 01 DF 1E CB 01 00 00 
{271} normal block at 0x000001CB1EDF6540, 16 bytes long.
 Data: < m&#223; &#203;           > 90 6D DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CB1EDF5EB0, 16 bytes long.
 Data: <hm&#223; &#203;           > 68 6D DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CB1EDF02F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001CB1EDF6270, 16 bytes long.
 Data: <@m&#223; &#203;           > 40 6D DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB1EDF05F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001CB1EDF5C80, 16 bytes long.
 Data: < l&#223; &#203;           > 88 6C DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CB1EDF5BE0, 16 bytes long.
 Data: <`l&#223; &#203;           > 60 6C DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB1EDF6450, 16 bytes long.
 Data: <8l&#223; &#203;           > 38 6C DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CB1EDF5B90, 16 bytes long.
 Data: < l&#223; &#203;           > 10 6C DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB1EDF5D20, 16 bytes long.
 Data: <&#232;k&#223; &#203;           > E8 6B DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CB1EDF6860, 16 bytes long.
 Data: <&#192;k&#223; &#203;           > C0 6B DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CB1EDF6950, 16 bytes long.
 Data: <pS&#223; &#203;           > 70 53 DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CB1EDF5370, 40 bytes long.
 Data: <Pi&#223; &#203;    \&#155; &#203;   > 50 69 DF 1E CB 01 00 00 90 5C 9B 20 CB 01 00 00 
{257} normal block at 0x000001CB1EDF6220, 16 bytes long.
 Data: <&#160;k&#223; &#203;           > A0 6B DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CB1EDF6090, 16 bytes long.
 Data: <xk&#223; &#203;           > 78 6B DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CB1EDF0530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001CB1EDF63B0, 16 bytes long.
 Data: <Pk&#223; &#203;           > 50 6B DF 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CB1EDF6B50, 992 bytes long.
 Data: <&#176;c&#223; &#203;   0 &#223; &#203;   > B0 63 DF 1E CB 01 00 00 30 05 DF 1E CB 01 00 00 
{89} normal block at 0x000001CB1EDF0050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001CB1EDEF5C0, 16 bytes long.
 Data: <0&#228;&#221; &#203;           > 30 E4 DD 1E CB 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001CB1EDDE430, 40 bytes long.
 Data: <&#192;&#245;&#222; &#203;   P &#223; &#203;   > C0 F5 DE 1E CB 01 00 00 50 00 DF 1E CB 01 00 00 
{66} normal block at 0x000001CB1EDEF930, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CB1EDEF7A0, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CB1EDEF110, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CB1EDEFF20, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CB1EDEF480, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CB1EDEF390, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CB1EDEF8E0, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CB1EDEF750, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CB1EDEF340, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CB1EDEF980, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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