Task 38683491

Name test_874-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND1327_0
Workunit 31625046
Created 27 Oct 2026, 12:00:51 UTC
Sent 27 Oct 2026, 12:00:57 UTC
Report deadline 1 Nov 2026, 12:00:57 UTC
Received 28 Oct 2026, 16:25:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 1 hours 56 min 27 sec
CPU time 1 hours 44 min 53 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 749.32 MB
Peak swap size 12.91 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:10:33 (18772): wrapper (7.9.26016): starting
06:10:33 (18772): 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
06:10:34 (18772): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:10:34 (18772): 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
08:03:39 (18772): C:/Windows/system32/cmd.exe exited; CPU time 6293.234375
08:03:39 (18772): 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: 122570551 bytes.
Dumping objects ->
{3835871} normal block at 0x00000254913556B0, 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 0x000002548F545720, 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 0x000002548F545640, 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 0x000002548F545560, 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 0x000002548F545480, 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 0x00000254912F6CA0, 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 0x000002548F56AD70, 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 0x000002548F53E480, 8 bytes long.
 Data: <  &#175; T   > 00 00 AF 8F 54 02 00 00 
{3834849} normal block at 0x000002548F56B130, 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 0x000002548F53DC10, 8 bytes long.
 Data: <&#176;&#227; &#145;T   > B0 E3 20 91 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002548F542330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002548F536FD0, 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 0x000002548F5469A0, 16 bytes long.
 Data: <&#168;wT T           > A8 77 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002548F5471C0, 16 bytes long.
 Data: < wT T           > 80 77 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002548F540160, 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 0x000002548F546950, 16 bytes long.
 Data: <XwT T           > 58 77 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002548F547170, 16 bytes long.
 Data: <0wT T           > 30 77 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002548F546F40, 16 bytes long.
 Data: < wT T           > 08 77 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002548F546EA0, 16 bytes long.
 Data: <&#224;vT T           > E0 76 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002548F545950, 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 0x000002548F546900, 16 bytes long.
 Data: <x`T T           > 78 60 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002548F540D00, 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 0x000002548F546E00, 16 bytes long.
 Data: <P`T T           > 50 60 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002548F5464F0, 16 bytes long.
 Data: <(`T T           > 28 60 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002548F546400, 16 bytes long.
 Data: < `T T           > 00 60 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002548F546810, 16 bytes long.
 Data: <&#216;_T T           > D8 5F 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002548F5463B0, 16 bytes long.
 Data: <&#176;_T T           > B0 5F 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002548F546450, 16 bytes long.
 Data: < _T T           > 88 5F 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002548F53FF20, 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 0x000002548F546CC0, 16 bytes long.
 Data: <`_T T           > 60 5F 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002548F545F60, 320 bytes long.
 Data: <&#192;lT T    &#255;S T   > C0 6C 54 8F 54 02 00 00 20 FF 53 8F 54 02 00 00 
{281} normal block at 0x000002548F547030, 16 bytes long.
 Data: <&#192;vT T           > C0 76 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002548F547210, 16 bytes long.
 Data: < vT T           > 98 76 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002548F540040, 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 0x000002548F5467C0, 16 bytes long.
 Data: <pvT T           > 70 76 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002548F540700, 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 0x000002548F547260, 16 bytes long.
 Data: <&#184;uT T           > B8 75 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002548F546590, 16 bytes long.
 Data: < uT T           > 90 75 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002548F547120, 16 bytes long.
 Data: <huT T           > 68 75 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002548F546B30, 16 bytes long.
 Data: <@uT T           > 40 75 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002548F546310, 16 bytes long.
 Data: < uT T           > 18 75 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002548F546770, 16 bytes long.
 Data: <&#240;tT T           > F0 74 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002548F546E50, 16 bytes long.
 Data: < TT T           > 10 54 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002548F545410, 40 bytes long.
 Data: <PnT T   &#160;l/&#145;T   > 50 6E 54 8F 54 02 00 00 A0 6C 2F 91 54 02 00 00 
{267} normal block at 0x000002548F5466D0, 16 bytes long.
 Data: <&#208;tT T           > D0 74 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002548F546860, 16 bytes long.
 Data: <&#168;tT T           > A8 74 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002548F5406A0, 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 0x000002548F5465E0, 16 bytes long.
 Data: < tT T           > 80 74 54 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002548F547480, 992 bytes long.
 Data: <&#224;eT T   &#160; T T   > E0 65 54 8F 54 02 00 00 A0 06 54 8F 54 02 00 00 
{99} normal block at 0x000002548F540520, 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 0x000002548F53DF30, 16 bytes long.
 Data: <  S T           > 20 07 53 8F 54 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002548F530720, 40 bytes long.
 Data: <0&#223;S T     T T   > 30 DF 53 8F 54 02 00 00 20 05 54 8F 54 02 00 00 
{76} normal block at 0x000002548F53E840, 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 0x000002548F53E390, 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 0x000002548F53E430, 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 0x000002548F53E3E0, 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 0x000002548F53E340, 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 0x000002548F53E1B0, 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 0x000002548F53E250, 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 0x000002548F53DEE0, 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 0x000002548F53E2F0, 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 0x000002548F53E0C0, 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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