Task 38674976

Name test_155-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7026_1
Workunit 31616958
Created 26 Oct 2026, 6:54:13 UTC
Sent 26 Oct 2026, 6:54:16 UTC
Report deadline 31 Oct 2026, 6:54:16 UTC
Received 26 Oct 2026, 8:47:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 27 min 41 sec
CPU time 25 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.28 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:10:47 (16880): wrapper (7.9.26016): starting
17:10:47 (16880): 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
17:10:49 (16880): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:10:49 (16880): 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\28\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\28\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
17:36:44 (16880): C:/Windows/system32/cmd.exe exited; CPU time 1517.546875
17:36:44 (16880): 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: 27290401 bytes.
Dumping objects ->
{3835372} normal block at 0x000001D90120EF00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835361} normal block at 0x000001D90120E870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x000001D90120EFE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835339} normal block at 0x000001D90120EB10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835328} normal block at 0x000001D90120F280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835297} normal block at 0x000001D90325C7E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x000001D903273730, 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) : {3835283} normal block at 0x000001D9011DD060, 8 bytes long.
 Data: <  T &#217;   > 00 00 54 01 D9 01 00 00 
{3834667} normal block at 0x000001D903273100, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834065} normal block at 0x000001D9011DD330, 8 bytes long.
 Data: <P . &#217;   > 50 98 2E 03 D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D9011EB520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D9011CD840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001D9011E9130, 16 bytes long.
 Data: <&#216;&#164;  &#217;           > D8 A4 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D9011E9B30, 16 bytes long.
 Data: <&#176;&#164;  &#217;           > B0 A4 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D9011E4BE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001D9011E9A40, 16 bytes long.
 Data: < &#164;  &#217;           > 88 A4 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D9011E9680, 16 bytes long.
 Data: <`&#164;  &#217;           > 60 A4 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D9011E95E0, 16 bytes long.
 Data: <8&#164;  &#217;           > 38 A4 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D9011E9540, 16 bytes long.
 Data: < &#164;  &#217;           > 10 A4 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D9011E37E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001D9011E9F40, 16 bytes long.
 Data: <8   &#217;           > 38 0B 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D9011E4C40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001D9011E9AE0, 16 bytes long.
 Data: <    &#217;           > 10 0B 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D9011E9720, 16 bytes long.
 Data: <    &#217;           > E8 0A 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D9011E9DB0, 16 bytes long.
 Data: <&#192;   &#217;           > C0 0A 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D9011E94F0, 16 bytes long.
 Data: <    &#217;           > 98 0A 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D9011E90E0, 16 bytes long.
 Data: <p   &#217;           > 70 0A 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D9011E99A0, 16 bytes long.
 Data: <H   &#217;           > 48 0A 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D9011E4B20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001D9011E9450, 16 bytes long.
 Data: <    &#217;           > 20 0A 1D 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D9011D0A20, 320 bytes long.
 Data: <P   &#217;    K  &#217;   > 50 94 1E 01 D9 01 00 00 20 4B 1E 01 D9 01 00 00 
{278} normal block at 0x000001D9011E9D60, 16 bytes long.
 Data: < &#163;  &#217;           > F0 A3 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D9011E9B80, 16 bytes long.
 Data: <&#200;&#163;  &#217;           > C8 A3 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D9011E4E80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001D9011E9400, 16 bytes long.
 Data: < &#163;  &#217;           > A0 A3 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D9011E4AC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001D9011E94A0, 16 bytes long.
 Data: < &#162;  &#217;           > E8 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D9011E9090, 16 bytes long.
 Data: <&#192;&#162;  &#217;           > C0 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D9011E99F0, 16 bytes long.
 Data: < &#162;  &#217;           > 98 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D9011E9C70, 16 bytes long.
 Data: <p&#162;  &#217;           > 70 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D9011E9C20, 16 bytes long.
 Data: <H&#162;  &#217;           > 48 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D9011E9BD0, 16 bytes long.
 Data: < &#162;  &#217;           > 20 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D9011E9D10, 16 bytes long.
 Data: < :  &#217;           > 10 3A 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D9011E3A10, 40 bytes long.
 Data: <    &#217;    &#199;% &#217;   > 10 9D 1E 01 D9 01 00 00 E0 C7 25 03 D9 01 00 00 
{264} normal block at 0x000001D9011E9900, 16 bytes long.
 Data: < &#162;  &#217;           > 00 A2 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D9011E9A90, 16 bytes long.
 Data: <&#216;&#161;  &#217;           > D8 A1 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D9011E55A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001D9011E96D0, 16 bytes long.
 Data: <&#176;&#161;  &#217;           > B0 A1 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D9011EA1B0, 992 bytes long.
 Data: <&#208;   &#217;    U  &#217;   > D0 96 1E 01 D9 01 00 00 A0 55 1E 01 D9 01 00 00 
{96} normal block at 0x000001D9011E5000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001D9011DDA60, 16 bytes long.
 Data: <`;  &#217;           > 60 3B 1E 01 D9 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001D9011E3B60, 40 bytes long.
 Data: <`&#218;  &#217;    P  &#217;   > 60 DA 1D 01 D9 01 00 00 00 50 1E 01 D9 01 00 00 
{71} normal block at 0x000001D9011DD560, 16 bytes long.
 Data: <   +            > 80 EA 98 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D9011DCCA0, 16 bytes long.
 Data: <@  +            > 40 E9 98 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D9011DCC50, 16 bytes long.
 Data: < W +            > F8 57 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D9011DD8D0, 16 bytes long.
 Data: <&#216;W +            > D8 57 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D9011DD100, 16 bytes long.
 Data: <P  +            > 50 04 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D9011DD510, 16 bytes long.
 Data: <0  +            > 30 04 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D9011DD150, 16 bytes long.
 Data: <   +            > E0 02 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D9011DCDE0, 16 bytes long.
 Data: <   +            > 10 04 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D9011DDAB0, 16 bytes long.
 Data: <p  +            > 70 04 95 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D9011DCC00, 16 bytes long.
 Data: < &#192; +            > 18 C0 93 2B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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