Task 38677018

Name test_608-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4661_0
Workunit 31618905
Created 26 Oct 2026, 13:00:41 UTC
Sent 26 Oct 2026, 13:00:43 UTC
Report deadline 31 Oct 2026, 13:00:43 UTC
Received 26 Oct 2026, 15:38:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 1 hours 21 min 21 sec
CPU time 1 hours 12 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.35 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:20:08 (33232): wrapper (7.9.26016): starting
08:20:08 (33232): 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
08:20:09 (33232): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:20:09 (33232): 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
09:38:06 (33232): C:/Windows/system32/cmd.exe exited; CPU time 4359.109375
09:38:06 (33232): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 84384707 bytes.
Dumping objects ->
{3835871} normal block at 0x000002517FDC4770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x000002517F4B5540, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x000002517F4B5620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x000002517F4B5B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x000002517F4B54D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x000002517FD3B490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x000002517F4DB0C0, 120 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) : {3835782} normal block at 0x000002517F4ADB70, 8 bytes long.
 Data: <  H Q   > 00 00 48 7F 51 02 00 00 
{3834849} normal block at 0x000002517F4DB840, 120 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 0x000002517F4ADD50, 8 bytes long.
 Data: <p&#232;&#196; Q   > 70 E8 C4 7F 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002517F4B27B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002517F4A6F90, 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 0x000002517F4B62A0, 16 bytes long.
 Data: <8wK Q           > 38 77 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002517F4B6B10, 16 bytes long.
 Data: < wK Q           > 10 77 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002517F4B0EE0, 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 0x000002517F4B7150, 16 bytes long.
 Data: <&#232;vK Q           > E8 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002517F4B67F0, 16 bytes long.
 Data: <&#192;vK Q           > C0 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002517F4B6A20, 16 bytes long.
 Data: < vK Q           > 98 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002517F4B6890, 16 bytes long.
 Data: <pvK Q           > 70 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002517F4B5770, 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 0x000002517F4B6750, 16 bytes long.
 Data: < &#251;I Q           > 08 FB 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002517F4B02E0, 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 0x000002517F4B6DE0, 16 bytes long.
 Data: <&#224;&#250;I Q           > E0 FA 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002517F4B6D90, 16 bytes long.
 Data: <&#184;&#250;I Q           > B8 FA 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002517F4B6430, 16 bytes long.
 Data: < &#250;I Q           > 90 FA 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002517F4B7010, 16 bytes long.
 Data: <h&#250;I Q           > 68 FA 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002517F4B6980, 16 bytes long.
 Data: <@&#250;I Q           > 40 FA 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002517F4B6B60, 16 bytes long.
 Data: < &#250;I Q           > 18 FA 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002517F4B0E20, 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 0x000002517F4B6930, 16 bytes long.
 Data: <&#240;&#249;I Q           > F0 F9 49 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002517F49F9F0, 320 bytes long.
 Data: <0iK Q     K Q   > 30 69 4B 7F 51 02 00 00 20 0E 4B 7F 51 02 00 00 
{281} normal block at 0x000002517F4B6480, 16 bytes long.
 Data: <PvK Q           > 50 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002517F4B6660, 16 bytes long.
 Data: <(vK Q           > 28 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002517F4B04C0, 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 0x000002517F4B7100, 16 bytes long.
 Data: < vK Q           > 00 76 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002517F4B0280, 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 0x000002517F4B6570, 16 bytes long.
 Data: <HuK Q           > 48 75 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002517F4B6700, 16 bytes long.
 Data: < uK Q           > 20 75 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002517F4B66B0, 16 bytes long.
 Data: <&#248;tK Q           > F8 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002517F4B6340, 16 bytes long.
 Data: <&#208;tK Q           > D0 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002517F4B6ED0, 16 bytes long.
 Data: <&#168;tK Q           > A8 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002517F4B63E0, 16 bytes long.
 Data: < tK Q           > 80 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002517F4B6610, 16 bytes long.
 Data: <&#224;WK Q           > E0 57 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002517F4B57E0, 40 bytes long.
 Data: < fK Q    &#180;&#211; Q   > 10 66 4B 7F 51 02 00 00 90 B4 D3 7F 51 02 00 00 
{267} normal block at 0x000002517F4B6390, 16 bytes long.
 Data: <`tK Q           > 60 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002517F4B6E30, 16 bytes long.
 Data: <8tK Q           > 38 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002517F4B0880, 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 0x000002517F4B62F0, 16 bytes long.
 Data: < tK Q           > 10 74 4B 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002517F4B7410, 992 bytes long.
 Data: <&#240;bK Q     K Q   > F0 62 4B 7F 51 02 00 00 80 08 4B 7F 51 02 00 00 
{99} normal block at 0x000002517F4B0640, 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 0x000002517F4AE200, 16 bytes long.
 Data: <  J Q           > 20 07 4A 7F 51 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002517F4A0720, 40 bytes long.
 Data: < &#226;J Q   @ K Q   > 00 E2 4A 7F 51 02 00 00 40 06 4B 7F 51 02 00 00 
{76} normal block at 0x000002517F4AE750, 16 bytes long.
 Data: < &#234;&#135;>&#247;           > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002517F4ADE90, 16 bytes long.
 Data: <@&#233;&#135;>&#247;           > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002517F4AE3E0, 16 bytes long.
 Data: <&#248;W&#132;>&#247;           > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002517F4AE110, 16 bytes long.
 Data: <&#216;W&#132;>&#247;           > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002517F4ADD00, 16 bytes long.
 Data: <P &#132;>&#247;           > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002517F4ADA30, 16 bytes long.
 Data: <0 &#132;>&#247;           > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002517F4ADE40, 16 bytes long.
 Data: <&#224; &#132;>&#247;           > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002517F4ADDF0, 16 bytes long.
 Data: <  &#132;>&#247;           > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002517F4AE700, 16 bytes long.
 Data: <p &#132;>&#247;           > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002517F4ADDA0, 16 bytes long.
 Data: < &#192;&#130;>&#247;           > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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