Task 38651422

Name test_850-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND5193_0
Workunit 31595810
Created 24 Oct 2026, 1:39:26 UTC
Sent 24 Oct 2026, 2:29:40 UTC
Report deadline 29 Oct 2026, 2:29:40 UTC
Received 24 Oct 2026, 3:41:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636059
Run time 1 hours 3 min 38 sec
CPU time 23 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 923.51 MB
Peak swap size 5.26 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>7.16.7</core_client_version>
<![CDATA[
<stderr_txt>
22:35:22 (28232): wrapper (7.9.26016): starting
22:35:22 (28232): 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
22:35:24 (28232): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:35:24 (28232): 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
23:35:16 (28232): C:/Windows/system32/cmd.exe exited; CPU time 1392.500000
23:35:16 (28232): called boinc_finish(0)
0 bytes in 0 Free Blocks.
524 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: 50468085 bytes.
Dumping objects ->
{3835646} normal block at 0x0000020713D1D490, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x0000020713D1CA80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835624} normal block at 0x0000020713D1CAF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835613} normal block at 0x00000207121024A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835602} normal block at 0x0000020712102350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835571} normal block at 0x00000207121282B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x0000020713C72500, 134 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) : {3835557} normal block at 0x00000207120F92F0, 8 bytes long.
 Data: <        > 00 00 0B 12 07 02 00 00 
{3834755} normal block at 0x0000020713C72B80, 134 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x00000207120F93E0, 8 bytes long.
 Data: <p&#234;&#199;     > 70 EA C7 13 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000207120EFC50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000207120EDD40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000020712103E70, 16 bytes long.
 Data: <hR              > 68 52 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020712103DD0, 16 bytes long.
 Data: <@R              > 40 52 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000207120FD980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000020712104D20, 16 bytes long.
 Data: < R              > 18 52 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020712104320, 16 bytes long.
 Data: <&#240;Q              > F0 51 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020712104A50, 16 bytes long.
 Data: <&#200;Q              > C8 51 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020712104870, 16 bytes long.
 Data: <&#160;Q              > A0 51 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020712102900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000207121040F0, 16 bytes long.
 Data: <&#216;&#220;              > D8 DC 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207120FE5E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000020712103E20, 16 bytes long.
 Data: <&#176;&#220;              > B0 DC 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020712104640, 16 bytes long.
 Data: < &#220;              > 88 DC 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207121042D0, 16 bytes long.
 Data: <`&#220;              > 60 DC 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000207121045F0, 16 bytes long.
 Data: <8&#220;              > 38 DC 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020712104370, 16 bytes long.
 Data: < &#220;              > 10 DC 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207121044B0, 16 bytes long.
 Data: <&#232;&#219;              > E8 DB 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207120FE520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000207121043C0, 16 bytes long.
 Data: <&#192;&#219;              > C0 DB 0E 12 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000207120EDBC0, 320 bytes long.
 Data: <&#192;C       &#229;      > C0 43 10 12 07 02 00 00 20 E5 0F 12 07 02 00 00 
{281} normal block at 0x0000020712104B90, 16 bytes long.
 Data: < Q              > 80 51 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020712104A00, 16 bytes long.
 Data: <XQ              > 58 51 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000207120FE580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000020712104410, 16 bytes long.
 Data: <0Q              > 30 51 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000207120FDDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000020712104AF0, 16 bytes long.
 Data: <xP              > 78 50 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000207121041E0, 16 bytes long.
 Data: <PP              > 50 50 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020712104C30, 16 bytes long.
 Data: <(P              > 28 50 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020712104000, 16 bytes long.
 Data: < P              > 00 50 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000207121045A0, 16 bytes long.
 Data: <&#216;O              > D8 4F 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020712104820, 16 bytes long.
 Data: <&#176;O              > B0 4F 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020712104460, 16 bytes long.
 Data: < %              > 10 25 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020712102510, 40 bytes long.
 Data: <`D      &#176;&#130;      > 60 44 10 12 07 02 00 00 B0 82 12 12 07 02 00 00 
{267} normal block at 0x0000020712104550, 16 bytes long.
 Data: < O              > 90 4F 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000207121049B0, 16 bytes long.
 Data: <hO              > 68 4F 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000207120FDFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000020712104BE0, 16 bytes long.
 Data: <@O              > 40 4F 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020712104F40, 992 bytes long.
 Data: <&#224;K      &#224;&#223;      > E0 4B 10 12 07 02 00 00 E0 DF 0F 12 07 02 00 00 
{99} normal block at 0x00000207120FDEC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000207120F90C0, 16 bytes long.
 Data: <&#192;#              > C0 23 10 12 07 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000207121023C0, 40 bytes long.
 Data: <&#192;       &#192;&#222;      > C0 90 0F 12 07 02 00 00 C0 DE 0F 12 07 02 00 00 
{76} normal block at 0x00000207120F9070, 16 bytes long.
 Data: < &#234;ld&#247;           > 80 EA 6C 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000207120F8BC0, 16 bytes long.
 Data: <@&#233;ld&#247;           > 40 E9 6C 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000207120F9700, 16 bytes long.
 Data: <&#248;Wid&#247;           > F8 57 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000207120F8D00, 16 bytes long.
 Data: <&#216;Wid&#247;           > D8 57 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000207120F92A0, 16 bytes long.
 Data: <P id&#247;           > 50 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000207120F9110, 16 bytes long.
 Data: <0 id&#247;           > 30 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000207120F95C0, 16 bytes long.
 Data: <&#224; id&#247;           > E0 02 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000207120F9570, 16 bytes long.
 Data: <  id&#247;           > 10 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000207120F9020, 16 bytes long.
 Data: <p id&#247;           > 70 04 69 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000207120F8FD0, 16 bytes long.
 Data: < &#192;gd&#247;           > 18 C0 67 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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