Task 38683135

Name test_363-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1539_0
Workunit 31624714
Created 27 Oct 2026, 10:35:10 UTC
Sent 27 Oct 2026, 10:35:16 UTC
Report deadline 1 Nov 2026, 10:35:16 UTC
Received 27 Oct 2026, 13:52:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 18 sec
CPU time 1 hours 4 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.91 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
05:47:56 (15856): wrapper (7.9.26016): starting
05:47:56 (15856): 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
05:47:58 (15856): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:47:58 (15856): 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\26\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\26\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
06:51:25 (15856): C:/Windows/system32/cmd.exe exited; CPU time 3841.875000
06:51:25 (15856): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 54402750 bytes.
Dumping objects ->
{3835270} normal block at 0x0000014D53EC11E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000014D53EC0D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000014D53EC0A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000014D53EC08B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000014D53EC0E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000014D53F6B400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000014D53F6CAB0, 85 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) : {3835181} normal block at 0x0000014D522E6640, 8 bytes long.
 Data: <  &#196;SM   > 00 00 C4 53 4D 01 00 00 
{3834558} normal block at 0x0000014D53F6C290, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000014D522E6320, 8 bytes long.
 Data: < &#132; TM   > 90 84 00 54 4D 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000014D522F03E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014D522DCAB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000014D522F1920, 16 bytes long.
 Data: < ;/RM           > 18 3B 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014D522F1F10, 16 bytes long.
 Data: <&#240;:/RM           > F0 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014D522ECF00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000014D522F1EC0, 16 bytes long.
 Data: <&#200;:/RM           > C8 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014D522F18D0, 16 bytes long.
 Data: <&#160;:/RM           > A0 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014D522F1BF0, 16 bytes long.
 Data: <x:/RM           > 78 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014D522F1560, 16 bytes long.
 Data: <P:/RM           > 50 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014D522EAEA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000014D522F1DD0, 16 bytes long.
 Data: < &#181;-RM           > 88 B5 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014D522ECDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000014D522F1E70, 16 bytes long.
 Data: <`&#181;-RM           > 60 B5 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014D522F1790, 16 bytes long.
 Data: <8&#181;-RM           > 38 B5 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014D522F1AB0, 16 bytes long.
 Data: < &#181;-RM           > 10 B5 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014D522F1B00, 16 bytes long.
 Data: <&#232;&#180;-RM           > E8 B4 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014D522F1D30, 16 bytes long.
 Data: <&#192;&#180;-RM           > C0 B4 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014D522F1A60, 16 bytes long.
 Data: < &#180;-RM           > 98 B4 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014D522ECD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000014D522F1510, 16 bytes long.
 Data: <p&#180;-RM           > 70 B4 2D 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014D522DB470, 320 bytes long.
 Data: <  /RM    &#205;.RM   > 10 15 2F 52 4D 01 00 00 80 CD 2E 52 4D 01 00 00 
{271} normal block at 0x0000014D522F17E0, 16 bytes long.
 Data: <0:/RM           > 30 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014D522F16F0, 16 bytes long.
 Data: < :/RM           > 08 3A 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014D522ECE40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000014D522F2140, 16 bytes long.
 Data: <&#224;9/RM           > E0 39 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014D522ED260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000014D522F1830, 16 bytes long.
 Data: <(9/RM           > 28 39 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014D522F1740, 16 bytes long.
 Data: < 9/RM           > 00 39 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014D522F20A0, 16 bytes long.
 Data: <&#216;8/RM           > D8 38 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014D522F16A0, 16 bytes long.
 Data: <&#176;8/RM           > B0 38 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014D522F1650, 16 bytes long.
 Data: < 8/RM           > 88 38 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014D522F1BA0, 16 bytes long.
 Data: <`8/RM           > 60 38 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014D522F19C0, 16 bytes long.
 Data: <&#192;&#173;.RM           > C0 AD 2E 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014D522EADC0, 40 bytes long.
 Data: <&#192; /RM    &#180;&#246;SM   > C0 19 2F 52 4D 01 00 00 00 B4 F6 53 4D 01 00 00 
{257} normal block at 0x0000014D522F1B50, 16 bytes long.
 Data: <@8/RM           > 40 38 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014D522F1600, 16 bytes long.
 Data: < 8/RM           > 18 38 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000014D522ED080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000014D522F1FB0, 16 bytes long.
 Data: <&#240;7/RM           > F0 37 2F 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000014D522F37F0, 992 bytes long.
 Data: <&#176; /RM    &#208;.RM   > B0 1F 2F 52 4D 01 00 00 80 D0 2E 52 4D 01 00 00 
{89} normal block at 0x0000014D522ECBA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000014D522E6AA0, 16 bytes long.
 Data: <&#208;&#176;.RM           > D0 B0 2E 52 4D 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000014D522EB0D0, 40 bytes long.
 Data: <&#160;j.RM   &#160;&#203;.RM   > A0 6A 2E 52 4D 01 00 00 A0 CB 2E 52 4D 01 00 00 
{66} normal block at 0x0000014D522E61E0, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014D522E5F10, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014D522E65A0, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014D522E5F60, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014D522E6550, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014D522E6140, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014D522E6910, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014D522E67D0, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014D522E60F0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014D522E6460, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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