Task 38684868

Name test_305-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5899_0
Workunit 31626369
Created 27 Oct 2026, 18:20:14 UTC
Sent 27 Oct 2026, 18:20:22 UTC
Report deadline 1 Nov 2026, 18:20:22 UTC
Received 27 Oct 2026, 19:00:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652822
Run time 33 min 18 sec
CPU time 32 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 777.54 MB
Peak swap size 24.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:27:52 (27560): wrapper (7.9.26016): starting
13:27:52 (27560): 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
13:27:54 (27560): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:27:54 (27560): 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
14:00:00 (27560): C:/Windows/system32/cmd.exe exited; CPU time 1972.671875
14:00:00 (27560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 35643279 bytes.
Dumping objects ->
{3835253} normal block at 0x000002CD30D74890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002CD30D74EB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002CD30D74C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002CD30D74A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002CD30D74E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002CD32C3A570, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000002CD32C4E720, 102 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) : {3835164} normal block at 0x000002CD30D6F090, 8 bytes long.
 Data: <  &#212;0&#205;   > 00 00 D4 30 CD 02 00 00 
{3834553} normal block at 0x000002CD32C4F0C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002CD30D6F310, 8 bytes long.
 Data: <0&#221;&#196;2&#205;   > 30 DD C4 32 CD 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002CD30D71510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002CD30D66D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002CD30D76050, 16 bytes long.
 Data: < V&#215;0&#205;           > 98 56 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CD30D764B0, 16 bytes long.
 Data: <pV&#215;0&#205;           > 70 56 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002CD30D6F880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002CD30D76230, 16 bytes long.
 Data: <HV&#215;0&#205;           > 48 56 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CD30D76000, 16 bytes long.
 Data: < V&#215;0&#205;           > 20 56 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CD30D76550, 16 bytes long.
 Data: <&#248;U&#215;0&#205;           > F8 55 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CD30D76460, 16 bytes long.
 Data: <&#208;U&#215;0&#205;           > D0 55 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CD30D74970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002CD30D76410, 16 bytes long.
 Data: <&#184;&#231;&#214;0&#205;           > B8 E7 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CD30D70780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002CD30D75920, 16 bytes long.
 Data: < &#231;&#214;0&#205;           > 90 E7 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CD30D765A0, 16 bytes long.
 Data: <h&#231;&#214;0&#205;           > 68 E7 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CD30D75880, 16 bytes long.
 Data: <@&#231;&#214;0&#205;           > 40 E7 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CD30D761E0, 16 bytes long.
 Data: < &#231;&#214;0&#205;           > 18 E7 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CD30D76500, 16 bytes long.
 Data: <&#240;&#230;&#214;0&#205;           > F0 E6 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CD30D75C40, 16 bytes long.
 Data: <&#200;&#230;&#214;0&#205;           > C8 E6 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CD30D6FB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002CD30D75CE0, 16 bytes long.
 Data: <&#160;&#230;&#214;0&#205;           > A0 E6 D6 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CD30D6E6A0, 320 bytes long.
 Data: <&#224;\&#215;0&#205;    &#251;&#214;0&#205;   > E0 5C D7 30 CD 02 00 00 20 FB D6 30 CD 02 00 00 
{274} normal block at 0x000002CD30D75830, 16 bytes long.
 Data: <&#176;U&#215;0&#205;           > B0 55 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CD30D75F60, 16 bytes long.
 Data: < U&#215;0&#205;           > 88 55 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002CD30D70300, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002CD30D757E0, 16 bytes long.
 Data: <`U&#215;0&#205;           > 60 55 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CD30D700C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002CD30D75E70, 16 bytes long.
 Data: <&#168;T&#215;0&#205;           > A8 54 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CD30D763C0, 16 bytes long.
 Data: < T&#215;0&#205;           > 80 54 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CD30D76730, 16 bytes long.
 Data: <XT&#215;0&#205;           > 58 54 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CD30D758D0, 16 bytes long.
 Data: <0T&#215;0&#205;           > 30 54 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CD30D75F10, 16 bytes long.
 Data: < T&#215;0&#205;           > 08 54 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CD30D6F590, 16 bytes long.
 Data: <&#224;S&#215;0&#205;           > E0 53 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CD30D6F220, 16 bytes long.
 Data: < I&#215;0&#205;           > 00 49 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CD30D74900, 40 bytes long.
 Data: < &#242;&#214;0&#205;   p&#165;&#195;2&#205;   > 20 F2 D6 30 CD 02 00 00 70 A5 C3 32 CD 02 00 00 
{260} normal block at 0x000002CD30D6F1D0, 16 bytes long.
 Data: <&#192;S&#215;0&#205;           > C0 53 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CD30D6EE60, 16 bytes long.
 Data: < S&#215;0&#205;           > 98 53 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002CD30D70420, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002CD30D6F180, 16 bytes long.
 Data: <pS&#215;0&#205;           > 70 53 D7 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002CD30D75370, 992 bytes long.
 Data: < &#241;&#214;0&#205;     &#215;0&#205;   > 80 F1 D6 30 CD 02 00 00 20 04 D7 30 CD 02 00 00 
{92} normal block at 0x000002CD30D706C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002CD30D6F720, 16 bytes long.
 Data: <@&#239;&#213;0&#205;           > 40 EF D5 30 CD 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002CD30D5EF40, 40 bytes long.
 Data: < &#247;&#214;0&#205;   &#192; &#215;0&#205;   > 20 F7 D6 30 CD 02 00 00 C0 06 D7 30 CD 02 00 00 
{69} normal block at 0x000002CD30D6F2C0, 16 bytes long.
 Data: < &#234;&#178;:&#247;           > 80 EA B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002CD30D6F4F0, 16 bytes long.
 Data: <@&#233;&#178;:&#247;           > 40 E9 B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002CD30D6EEB0, 16 bytes long.
 Data: <&#248;W&#175;:&#247;           > F8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CD30D6EAA0, 16 bytes long.
 Data: <&#216;W&#175;:&#247;           > D8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CD30D6F770, 16 bytes long.
 Data: <P &#175;:&#247;           > 50 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CD30D6EB90, 16 bytes long.
 Data: <0 &#175;:&#247;           > 30 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CD30D6EFF0, 16 bytes long.
 Data: <&#224; &#175;:&#247;           > E0 02 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CD30D6EFA0, 16 bytes long.
 Data: <  &#175;:&#247;           > 10 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CD30D6EF50, 16 bytes long.
 Data: <p &#175;:&#247;           > 70 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CD30D6EB40, 16 bytes long.
 Data: < &#192;&#173;:&#247;           > 18 C0 AD 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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