Task 38657976

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8511_2
Workunit 31599960
Created 24 Oct 2026, 12:12:13 UTC
Sent 24 Oct 2026, 12:16:08 UTC
Report deadline 29 Oct 2026, 12:16:08 UTC
Received 24 Oct 2026, 14:22:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627736
Run time 1 hours 22 min 55 sec
CPU time 1 hours 21 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.86 MB
Peak swap size 9.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:59:28 (29784): wrapper (7.9.26016): starting
07:59:28 (29784): 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
07:59:30 (29784): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:59:30 (29784): 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\2\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\2\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
09:21:20 (29784): C:/Windows/system32/cmd.exe exited; CPU time 4874.359375
09:21:20 (29784): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 93427567 bytes.
Dumping objects ->
{3835186} normal block at 0x00000182836D0970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000182836D0900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x00000182836D0EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x00000182836D0890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x00000182818A3090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x000001828371EC90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835098} normal block at 0x00000182818A13F0, 8 bytes long.
 Data: <  &#211; &#130;   > 00 00 D3 81 82 01 00 00 
{3833959} normal block at 0x00000182818A1710, 8 bytes long.
 Data: <&#192;rw&#131;&#130;   > C0 72 77 83 82 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001828189C120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018281895A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000182818A95C0, 16 bytes long.
 Data: <(&#161;&#138; &#130;           > 28 A1 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000182818A94D0, 16 bytes long.
 Data: < &#161;&#138; &#130;           > 00 A1 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000182818A4A10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000182818A9480, 16 bytes long.
 Data: <&#216;&#160;&#138; &#130;           > D8 A0 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000182818A9340, 16 bytes long.
 Data: <&#176;&#160;&#138; &#130;           > B0 A0 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000182818A9390, 16 bytes long.
 Data: < &#160;&#138; &#130;           > 88 A0 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000182818A92F0, 16 bytes long.
 Data: <`&#160;&#138; &#130;           > 60 A0 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000182818A2F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000182818A9660, 16 bytes long.
 Data: <&#216;&#227;  &#130;           > D8 E3 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000182818A4350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000182818A9520, 16 bytes long.
 Data: <&#176;&#227;  &#130;           > B0 E3 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000182818A98E0, 16 bytes long.
 Data: < &#227;  &#130;           > 88 E3 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000182818A8EE0, 16 bytes long.
 Data: <`&#227;  &#130;           > 60 E3 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000182818A9200, 16 bytes long.
 Data: <8&#227;  &#130;           > 38 E3 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000182818A99D0, 16 bytes long.
 Data: < &#227;  &#130;           > 10 E3 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000182818A91B0, 16 bytes long.
 Data: <&#232;&#226;  &#130;           > E8 E2 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000182818A4770, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000182818A9D90, 16 bytes long.
 Data: <&#192;&#226;  &#130;           > C0 E2 88 81 82 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001828188E2C0, 320 bytes long.
 Data: <  &#138; &#130;   pG&#138; &#130;   > 90 9D 8A 81 82 01 00 00 70 47 8A 81 82 01 00 00 
{275} normal block at 0x00000182818A92A0, 16 bytes long.
 Data: <@&#160;&#138; &#130;           > 40 A0 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000182818A9160, 16 bytes long.
 Data: < &#160;&#138; &#130;           > 18 A0 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000182818A4530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000182818A9700, 16 bytes long.
 Data: <&#240;&#159;&#138; &#130;           > F0 9F 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000182818A44D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000182818A9D40, 16 bytes long.
 Data: <8&#159;&#138; &#130;           > 38 9F 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000182818A9CF0, 16 bytes long.
 Data: < &#159;&#138; &#130;           > 10 9F 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000182818A90C0, 16 bytes long.
 Data: <&#232;&#158;&#138; &#130;           > E8 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000182818A9070, 16 bytes long.
 Data: <&#192;&#158;&#138; &#130;           > C0 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000182818A9980, 16 bytes long.
 Data: < &#158;&#138; &#130;           > 98 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000182818A9A70, 16 bytes long.
 Data: <p&#158;&#138; &#130;           > 70 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000182818A8FD0, 16 bytes long.
 Data: <P+&#138; &#130;           > 50 2B 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000182818A2B50, 40 bytes long.
 Data: <&#208; &#138; &#130;    &#236;q&#131;&#130;   > D0 8F 8A 81 82 01 00 00 90 EC 71 83 82 01 00 00 
{261} normal block at 0x00000182818A9430, 16 bytes long.
 Data: <P&#158;&#138; &#130;           > 50 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000182818A9110, 16 bytes long.
 Data: <(&#158;&#138; &#130;           > 28 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000182818A4110, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000182818A8F80, 16 bytes long.
 Data: < &#158;&#138; &#130;           > 00 9E 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000182818A9E00, 992 bytes long.
 Data: <  &#138; &#130;    A&#138; &#130;   > 80 8F 8A 81 82 01 00 00 10 41 8A 81 82 01 00 00 
{93} normal block at 0x00000182818A4830, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000182818A1080, 16 bytes long.
 Data: <p*&#138; &#130;           > 70 2A 8A 81 82 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000182818A2A70, 40 bytes long.
 Data: <  &#138; &#130;   0H&#138; &#130;   > 80 10 8A 81 82 01 00 00 30 48 8A 81 82 01 00 00 
{70} normal block at 0x00000182818A0C20, 16 bytes long.
 Data: < &#234;&#236;&#151;&#246;           > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000182818A11C0, 16 bytes long.
 Data: <@&#233;&#236;&#151;&#246;           > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000182818A1A80, 16 bytes long.
 Data: <&#248;W&#233;&#151;&#246;           > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000182818A15D0, 16 bytes long.
 Data: <&#216;W&#233;&#151;&#246;           > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000182818A1AD0, 16 bytes long.
 Data: <P &#233;&#151;&#246;           > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000182818A19E0, 16 bytes long.
 Data: <0 &#233;&#151;&#246;           > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000182818A1990, 16 bytes long.
 Data: <&#224; &#233;&#151;&#246;           > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000182818A1170, 16 bytes long.
 Data: <  &#233;&#151;&#246;           > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000182818A13A0, 16 bytes long.
 Data: <p &#233;&#151;&#246;           > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000182818A1440, 16 bytes long.
 Data: < &#192;&#231;&#151;&#246;           > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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