Task 38682040

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2706_1
Workunit 31612328
Created 27 Oct 2026, 6:19:59 UTC
Sent 27 Oct 2026, 6:20:12 UTC
Report deadline 1 Nov 2026, 6:20:12 UTC
Received 27 Oct 2026, 8:16:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 29 min 7 sec
CPU time 27 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.96 MB
Peak swap size 9.92 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:47:35 (46152): wrapper (7.9.26016): starting
16:47:35 (46152): 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
16:47:36 (46152): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:47:36 (46152): 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
17:15:57 (46152): C:/Windows/system32/cmd.exe exited; CPU time 1635.562500
17:15:57 (46152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 39156639 bytes.
Dumping objects ->
{3835380} normal block at 0x000001A7B76A1F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000001A7B76A24B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000001A7B76A2C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000001A7B76A2980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000001A7B76A2670, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000001A7BB216DE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835292} normal block at 0x000001A7B769F310, 8 bytes long.
 Data: <  &#196;&#183;&#167;   > 00 00 C4 B7 A7 01 00 00 
{3834077} normal block at 0x000001A7B769F040, 8 bytes long.
 Data: <&#192;X*&#187;&#167;   > C0 58 2A BB A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001A7B768E510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001A7B7686FB0, 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 0x000001A7B769EF00, 16 bytes long.
 Data: <h i&#183;&#167;           > 68 ED 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A7B769F680, 16 bytes long.
 Data: <@ i&#183;&#167;           > 40 ED 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A7B7695DF0, 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 0x000001A7B769FD60, 16 bytes long.
 Data: <  i&#183;&#167;           > 18 ED 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A7B769F4A0, 16 bytes long.
 Data: <  i&#183;&#167;           > F0 EC 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A7B7699180, 16 bytes long.
 Data: <&#200; i&#183;&#167;           > C8 EC 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A7B7699450, 16 bytes long.
 Data: <  i&#183;&#167;           > A0 EC 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A7B7697A00, 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 0x000001A7B7699040, 16 bytes long.
 Data: <h i&#183;&#167;           > 68 E5 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A7B7695670, 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 0x000001A7B7698F50, 16 bytes long.
 Data: <@ i&#183;&#167;           > 40 E5 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A7B7699400, 16 bytes long.
 Data: <  i&#183;&#167;           > 18 E5 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A7B76990E0, 16 bytes long.
 Data: <  i&#183;&#167;           > F0 E4 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A7B7699360, 16 bytes long.
 Data: <&#200; i&#183;&#167;           > C8 E4 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A7B7698EB0, 16 bytes long.
 Data: <  i&#183;&#167;           > A0 E4 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A7B7698E60, 16 bytes long.
 Data: <x i&#183;&#167;           > 78 E4 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A7B7695610, 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 0x000001A7B76987D0, 16 bytes long.
 Data: <P i&#183;&#167;           > 50 E4 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A7B769E450, 320 bytes long.
 Data: <&#208; i&#183;&#167;    Vi&#183;&#167;   > D0 87 69 B7 A7 01 00 00 10 56 69 B7 A7 01 00 00 
{281} normal block at 0x000001A7B7698E10, 16 bytes long.
 Data: <  i&#183;&#167;           > 80 EC 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A7B7698A50, 16 bytes long.
 Data: <X i&#183;&#167;           > 58 EC 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A7B76954F0, 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 0x000001A7B7698D20, 16 bytes long.
 Data: <0 i&#183;&#167;           > 30 EC 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A7B7695910, 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 0x000001A7B76989B0, 16 bytes long.
 Data: <x i&#183;&#167;           > 78 EB 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A7B7698960, 16 bytes long.
 Data: <P i&#183;&#167;           > 50 EB 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A7B7698910, 16 bytes long.
 Data: <( i&#183;&#167;           > 28 EB 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A7B7698F00, 16 bytes long.
 Data: <  i&#183;&#167;           > 00 EB 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A7B7698870, 16 bytes long.
 Data: <&#216; i&#183;&#167;           > D8 EA 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A7B7698820, 16 bytes long.
 Data: <&#176; i&#183;&#167;           > B0 EA 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A7B7699540, 16 bytes long.
 Data: <0|i&#183;&#167;           > 30 7C 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A7B7697C30, 40 bytes long.
 Data: <@ i&#183;&#167;    m!&#187;&#167;   > 40 95 69 B7 A7 01 00 00 E0 6D 21 BB A7 01 00 00 
{267} normal block at 0x000001A7B7698690, 16 bytes long.
 Data: <  i&#183;&#167;           > 90 EA 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A7B7698CD0, 16 bytes long.
 Data: <h i&#183;&#167;           > 68 EA 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A7B7695C70, 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 0x000001A7B76988C0, 16 bytes long.
 Data: <@ i&#183;&#167;           > 40 EA 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A7B769EA40, 992 bytes long.
 Data: <&#192; i&#183;&#167;   p\i&#183;&#167;   > C0 88 69 B7 A7 01 00 00 70 5C 69 B7 A7 01 00 00 
{99} normal block at 0x000001A7B76961B0, 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 0x000001A7B7698FA0, 16 bytes long.
 Data: < zi&#183;&#167;           > E0 7A 69 B7 A7 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001A7B7697AE0, 40 bytes long.
 Data: <  i&#183;&#167;   &#176;ai&#183;&#167;   > A0 8F 69 B7 A7 01 00 00 B0 61 69 B7 A7 01 00 00 
{74} normal block at 0x000001A7B7698B90, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A7B7698B40, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A7B7698FF0, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A7B76993B0, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A7B7698D70, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A7B7698730, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A7B768BA90, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A7B768B9A0, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A7B768B900, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A7B768B810, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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