Task 38667461

Name test_957-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2331_0
Workunit 31610083
Created 25 Oct 2026, 8:01:03 UTC
Sent 25 Oct 2026, 8:01:13 UTC
Report deadline 30 Oct 2026, 8:01:13 UTC
Received 25 Oct 2026, 8:59:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641615
Run time 54 min 36 sec
CPU time 50 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,805.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.02 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:07:23 (39464): wrapper (7.9.26016): starting
17:07:23 (39464): 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
17:07:25 (39464): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:07:25 (39464): 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
17:58:55 (39464): C:/Windows/system32/cmd.exe exited; CPU time 3032.562500
17:58:55 (39464): 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: 66403613 bytes.
Dumping objects ->
{3835342} normal block at 0x000002088EBC9830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835331} normal block at 0x000002088EBC94B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x000002088EBC9D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835309} normal block at 0x000002088EBC9E50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x000002088EBC9F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835267} normal block at 0x0000020890C69910, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000002088EBFD0E0, 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) : {3835253} normal block at 0x000002088EBA0D10, 8 bytes long.
 Data: <  &#181;     > 00 00 B5 8E 08 02 00 00 
{3834655} normal block at 0x000002088EBFCF40, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x000002088EBA1260, 8 bytes long.
 Data: <0 &#184;     > 30 E0 B8 8E 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002088EB97070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002088EB97760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002088EBA6750, 16 bytes long.
 Data: < n&#186;             > F8 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002088EBA6390, 16 bytes long.
 Data: <&#208;n&#186;             > D0 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002088EB9F440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002088EBA61B0, 16 bytes long.
 Data: <&#168;n&#186;             > A8 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002088EBA66B0, 16 bytes long.
 Data: < n&#186;             > 80 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002088EBA6480, 16 bytes long.
 Data: <Xn&#186;             > 58 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002088EBA6980, 16 bytes long.
 Data: <0n&#186;             > 30 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002088EBA4660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002088EBA6610, 16 bytes long.
 Data: <( &#184;             > 28 FB B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002088EB9F3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002088EBA68E0, 16 bytes long.
 Data: <  &#184;             > 00 FB B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002088EBA6070, 16 bytes long.
 Data: <&#216; &#184;             > D8 FA B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002088EBA62A0, 16 bytes long.
 Data: <&#176; &#184;             > B0 FA B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002088EBA5D50, 16 bytes long.
 Data: <  &#184;             > 88 FA B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002088EBA67F0, 16 bytes long.
 Data: <` &#184;             > 60 FA B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002088EBA63E0, 16 bytes long.
 Data: <8 &#184;             > 38 FA B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002088EB9F200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002088EBA6340, 16 bytes long.
 Data: <  &#184;             > 10 FA B8 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002088EB8FA10, 320 bytes long.
 Data: <@c&#186;       &#185;     > 40 63 BA 8E 08 02 00 00 00 F2 B9 8E 08 02 00 00 
{280} normal block at 0x000002088EBA5EE0, 16 bytes long.
 Data: < n&#186;             > 10 6E BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002088EBA5C10, 16 bytes long.
 Data: < m&#186;             > E8 6D BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002088EB9E9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002088EBA65C0, 16 bytes long.
 Data: <&#192;m&#186;             > C0 6D BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002088EB9EEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002088EBA60C0, 16 bytes long.
 Data: < m&#186;             > 08 6D BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002088EBA5E90, 16 bytes long.
 Data: < l&#186;             > E0 6C BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002088EBA5E40, 16 bytes long.
 Data: <&#184;l&#186;             > B8 6C BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002088EBA6700, 16 bytes long.
 Data: < l&#186;             > 90 6C BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002088EBA6B60, 16 bytes long.
 Data: <hl&#186;             > 68 6C BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002088EBA5CB0, 16 bytes long.
 Data: <@l&#186;             > 40 6C BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002088EBA6890, 16 bytes long.
 Data: < E&#186;             > 80 45 BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002088EBA4580, 40 bytes long.
 Data: < h&#186;       &#198;     > 90 68 BA 8E 08 02 00 00 10 99 C6 90 08 02 00 00 
{266} normal block at 0x000002088EBA6020, 16 bytes long.
 Data: < l&#186;             > 20 6C BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002088EBA5D00, 16 bytes long.
 Data: < k&#186;             > F8 6B BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002088EB9EB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002088EBA6660, 16 bytes long.
 Data: <&#208;k&#186;             > D0 6B BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002088EBA6BD0, 992 bytes long.
 Data: <`f&#186;     @ &#185;     > 60 66 BA 8E 08 02 00 00 40 EB B9 8E 08 02 00 00 
{98} normal block at 0x000002088EB9F020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002088EBA0770, 16 bytes long.
 Data: <@G&#186;             > 40 47 BA 8E 08 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002088EBA4740, 40 bytes long.
 Data: <p &#186;       &#185;     > 70 07 BA 8E 08 02 00 00 20 F0 B9 8E 08 02 00 00 
{73} normal block at 0x000002088EBA0540, 16 bytes long.
 Data: <  w&#193;            > 80 EA 77 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002088EBA0810, 16 bytes long.
 Data: <@ w&#193;            > 40 E9 77 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002088EBA04A0, 16 bytes long.
 Data: < Wt&#193;            > F8 57 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002088EBA11C0, 16 bytes long.
 Data: <&#216;Wt&#193;            > D8 57 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002088EBA05E0, 16 bytes long.
 Data: <P t&#193;            > 50 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002088EBA0DB0, 16 bytes long.
 Data: <0 t&#193;            > 30 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002088EBA0BD0, 16 bytes long.
 Data: <  t&#193;            > E0 02 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002088EBA04F0, 16 bytes long.
 Data: <  t&#193;            > 10 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002088EBA0CC0, 16 bytes long.
 Data: <p t&#193;            > 70 04 74 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002088EBA1120, 16 bytes long.
 Data: < &#192;r&#193;            > 18 C0 72 C1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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