Task 38678746

Name test_396-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9497_0
Workunit 31620552
Created 26 Oct 2026, 18:24:00 UTC
Sent 26 Oct 2026, 18:24:06 UTC
Report deadline 31 Oct 2026, 18:24:06 UTC
Received 26 Oct 2026, 20:36:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 39 sec
CPU time 30 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.50 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:04:38 (10748): wrapper (7.9.26016): starting
16:04:38 (10748): 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
16:04:39 (10748): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:04:39 (10748): 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\31\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\31\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
16:36:07 (10748): C:/Windows/system32/cmd.exe exited; CPU time 1821.375000
16:36:07 (10748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 39845014 bytes.
Dumping objects ->
{3835291} normal block at 0x0000019D362C2A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000019D362C2A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000019D362C2400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x0000019D362C22B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000019D362C2710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x0000019D362B4D60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000019D3811B9E0, 85 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) : {3835202} normal block at 0x0000019D362C6130, 8 bytes long.
 Data: <   6    > 00 00 81 36 9D 01 00 00 
{3834578} normal block at 0x0000019D3811A4A0, 85 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 0x0000019D362C64F0, 8 bytes long.
 Data: <@&#192;&6    > 40 C0 26 36 9D 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000019D362BA7A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000019D3626F430, 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 0x0000019D362C5AF0, 16 bytes long.
 Data: <&#248;T,6            > F8 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000019D362C5D70, 16 bytes long.
 Data: <&#208;T,6            > D0 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019D362BD210, 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 0x0000019D362C5F00, 16 bytes long.
 Data: <&#168;T,6            > A8 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019D362C57D0, 16 bytes long.
 Data: < T,6            > 80 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019D362C5B40, 16 bytes long.
 Data: <XT,6            > 58 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019D362BFF20, 16 bytes long.
 Data: <0T,6            > 30 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019D362C20F0, 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 0x0000019D362BFD90, 16 bytes long.
 Data: < O,6            > 08 4F 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019D362BC8B0, 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 0x0000019D362C0A60, 16 bytes long.
 Data: <&#224;N,6            > E0 4E 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019D362C09C0, 16 bytes long.
 Data: <&#184;N,6            > B8 4E 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019D362C04C0, 16 bytes long.
 Data: < N,6            > 90 4E 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019D362BFED0, 16 bytes long.
 Data: <hN,6            > 68 4E 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019D362C0CE0, 16 bytes long.
 Data: <@N,6            > 40 4E 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019D362C0BF0, 16 bytes long.
 Data: < N,6            > 18 4E 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019D362BD030, 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 0x0000019D362C0290, 16 bytes long.
 Data: <&#240;M,6            > F0 4D 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019D362C4DF0, 320 bytes long.
 Data: <  ,6    0&#208;+6    > 90 02 2C 36 9D 01 00 00 30 D0 2B 36 9D 01 00 00 
{281} normal block at 0x0000019D362C0970, 16 bytes long.
 Data: < T,6            > 10 54 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019D362C0920, 16 bytes long.
 Data: <&#232;S,6            > E8 53 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019D362BCD30, 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 0x0000019D362C0830, 16 bytes long.
 Data: <&#192;S,6            > C0 53 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019D362BD5D0, 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 0x0000019D362C08D0, 16 bytes long.
 Data: < S,6            > 08 53 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019D362C0470, 16 bytes long.
 Data: <&#224;R,6            > E0 52 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019D362C0420, 16 bytes long.
 Data: <&#184;R,6            > B8 52 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019D362C0380, 16 bytes long.
 Data: < R,6            > 90 52 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019D362C0740, 16 bytes long.
 Data: <hR,6            > 68 52 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019D362C01F0, 16 bytes long.
 Data: <@R,6            > 40 52 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019D362BFE80, 16 bytes long.
 Data: <P,,6            > 50 2C 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019D362C2C50, 40 bytes long.
 Data: < &#254;+6    `M+6    > 80 FE 2B 36 9D 01 00 00 60 4D 2B 36 9D 01 00 00 
{267} normal block at 0x0000019D362C0A10, 16 bytes long.
 Data: < R,6            > 20 52 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019D362BFF70, 16 bytes long.
 Data: <&#248;Q,6            > F8 51 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019D362BD6F0, 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 0x0000019D362C06F0, 16 bytes long.
 Data: <&#208;Q,6            > D0 51 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019D362C51D0, 992 bytes long.
 Data: <&#240; ,6    &#240;&#214;+6    > F0 06 2C 36 9D 01 00 00 F0 D6 2B 36 9D 01 00 00 
{99} normal block at 0x0000019D362BD570, 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 0x0000019D362C05B0, 16 bytes long.
 Data: <&#208;(,6            > D0 28 2C 36 9D 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000019D362C28D0, 40 bytes long.
 Data: <&#176; ,6    p&#213;+6    > B0 05 2C 36 9D 01 00 00 70 D5 2B 36 9D 01 00 00 
{76} normal block at 0x0000019D362C0BA0, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000019D362BFFC0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019D362C0560, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000019D362C0B00, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000019D362C0510, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019D362C0B50, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019D362C0C40, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019D362C0650, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019D362C0010, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019D362C0060, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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