Task 38692311

Name test_1951-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND7461_1
Workunit 31606180
Created 29 Oct 2026, 21:08:55 UTC
Sent 29 Oct 2026, 21:08:58 UTC
Report deadline 3 Nov 2026, 21:08:58 UTC
Received 29 Oct 2026, 21:50:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628018
Run time 28 min 51 sec
CPU time 23 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 26,730.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.49 MB
Peak swap size 12.98 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:23:01 (26688): wrapper (7.9.26016): starting
14:23:01 (26688): 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
14:23:03 (26688): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:23:03 (26688): 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\5\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\5\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
14:50:22 (26688): C:/Windows/system32/cmd.exe exited; CPU time 1420.796875
14:50:23 (26688): 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: 36852795 bytes.
Dumping objects ->
{3835561} normal block at 0x000001BCEA7E6D30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000001BCEA7E6E10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001BCEA7E7190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000001BCEA7E6FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000001BCEA7E6DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000001BCEC58BDE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001BCEA83EFB0, 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) : {3835472} normal block at 0x000001BCEA7DE520, 8 bytes long.
 Data: <  z&#234;&#188;   > 00 00 7A EA BC 01 00 00 
{3834703} normal block at 0x000001BCEA83E860, 140 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 0x000001BCEA7DDA30, 8 bytes long.
 Data: <0  &#234;&#188;   > 30 00 81 EA BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001BCEA7DCA20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001BCEA7D6AA0, 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 0x000001BCEA7E7660, 16 bytes long.
 Data: < &#133;~&#234;&#188;           > 88 85 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001BCEA7E7D40, 16 bytes long.
 Data: <`&#133;~&#234;&#188;           > 60 85 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001BCEA7E0E20, 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 0x000001BCEA7E7DE0, 16 bytes long.
 Data: <8&#133;~&#234;&#188;           > 38 85 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BCEA7E81F0, 16 bytes long.
 Data: < &#133;~&#234;&#188;           > 10 85 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BCEA7E80B0, 16 bytes long.
 Data: <&#232;&#132;~&#234;&#188;           > E8 84 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BCEA7E7B10, 16 bytes long.
 Data: <&#192;&#132;~&#234;&#188;           > C0 84 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BCEA7E7040, 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 0x000001BCEA7E79D0, 16 bytes long.
 Data: <&#248;$~&#234;&#188;           > F8 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BCEA7E03A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001BCEA7E7C50, 16 bytes long.
 Data: <&#208;$~&#234;&#188;           > D0 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BCEA7E8010, 16 bytes long.
 Data: <&#168;$~&#234;&#188;           > A8 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BCEA7E7890, 16 bytes long.
 Data: < $~&#234;&#188;           > 80 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BCEA7E7ED0, 16 bytes long.
 Data: <X$~&#234;&#188;           > 58 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BCEA7E7840, 16 bytes long.
 Data: <0$~&#234;&#188;           > 30 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BCEA7E7A70, 16 bytes long.
 Data: < $~&#234;&#188;           > 08 24 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BCEA7E09A0, 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 0x000001BCEA7E74D0, 16 bytes long.
 Data: <&#224;#~&#234;&#188;           > E0 23 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BCEA7E23E0, 320 bytes long.
 Data: <&#208;t~&#234;&#188;   &#160;	~&#234;&#188;   > D0 74 7E EA BC 01 00 00 A0 09 7E EA BC 01 00 00 
{281} normal block at 0x000001BCEA7E7570, 16 bytes long.
 Data: <&#160;&#132;~&#234;&#188;           > A0 84 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BCEA7E7390, 16 bytes long.
 Data: <x&#132;~&#234;&#188;           > 78 84 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BCEA7E0700, 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 0x000001BCEA7E7980, 16 bytes long.
 Data: <P&#132;~&#234;&#188;           > 50 84 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BCEA7E0B20, 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 0x000001BCEA7E77F0, 16 bytes long.
 Data: < &#131;~&#234;&#188;           > 98 83 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BCEA7E7CF0, 16 bytes long.
 Data: <p&#131;~&#234;&#188;           > 70 83 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BCEA7E7700, 16 bytes long.
 Data: <H&#131;~&#234;&#188;           > 48 83 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BCEA7E7B60, 16 bytes long.
 Data: < &#131;~&#234;&#188;           > 20 83 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BCEA7E7CA0, 16 bytes long.
 Data: <&#248;&#130;~&#234;&#188;           > F8 82 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BCEA7E77A0, 16 bytes long.
 Data: <&#208;&#130;~&#234;&#188;           > D0 82 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BCEA7E7A20, 16 bytes long.
 Data: <&#192;l~&#234;&#188;           > C0 6C 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BCEA7E6CC0, 40 bytes long.
 Data: < z~&#234;&#188;   &#224;&#189;X&#236;&#188;   > 20 7A 7E EA BC 01 00 00 E0 BD 58 EC BC 01 00 00 
{267} normal block at 0x000001BCEA7E7E80, 16 bytes long.
 Data: <&#176;&#130;~&#234;&#188;           > B0 82 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BCEA7E81A0, 16 bytes long.
 Data: < &#130;~&#234;&#188;           > 88 82 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BCEA7E0A00, 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 0x000001BCEA7E7340, 16 bytes long.
 Data: <`&#130;~&#234;&#188;           > 60 82 7E EA BC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BCEA7E8260, 992 bytes long.
 Data: <@s~&#234;&#188;     ~&#234;&#188;   > 40 73 7E EA BC 01 00 00 00 0A 7E EA BC 01 00 00 
{99} normal block at 0x000001BCEA7E00A0, 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 0x000001BCEA7DDE40, 16 bytes long.
 Data: <@&#210;|&#234;&#188;           > 40 D2 7C EA BC 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001BCEA7CD240, 40 bytes long.
 Data: <@&#222;}&#234;&#188;   &#160; ~&#234;&#188;   > 40 DE 7D EA BC 01 00 00 A0 00 7E EA BC 01 00 00 
{76} normal block at 0x000001BCEA7DE110, 16 bytes long.
 Data: < &#234;1&#172;&#246;           > 80 EA 31 AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001BCEA7DDCB0, 16 bytes long.
 Data: <@&#233;1&#172;&#246;           > 40 E9 31 AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001BCEA7DE160, 16 bytes long.
 Data: <&#248;W.&#172;&#246;           > F8 57 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001BCEA7DE700, 16 bytes long.
 Data: <&#216;W.&#172;&#246;           > D8 57 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001BCEA7DE840, 16 bytes long.
 Data: <P .&#172;&#246;           > 50 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BCEA7DDDA0, 16 bytes long.
 Data: <0 .&#172;&#246;           > 30 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BCEA7DE930, 16 bytes long.
 Data: <&#224; .&#172;&#246;           > E0 02 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BCEA7DE8E0, 16 bytes long.
 Data: <  .&#172;&#246;           > 10 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BCEA7DE1B0, 16 bytes long.
 Data: <p .&#172;&#246;           > 70 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BCEA7DE390, 16 bytes long.
 Data: < &#192;,&#172;&#246;           > 18 C0 2C AC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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