Task 38688879

Name test_72-GPUGRID_TEST_ATM_1000_20261023-0-1-RND6245_1
Workunit 31590909
Created 28 Oct 2026, 16:39:38 UTC
Sent 28 Oct 2026, 16:39:43 UTC
Report deadline 2 Nov 2026, 16:39:43 UTC
Received 28 Oct 2026, 16:56:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 16 min 21 sec
CPU time 15 min 38 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.38 MB
Peak swap size 9.95 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:40:34 (7540): wrapper (7.9.26016): starting
11:40:34 (7540): 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
11:40:35 (7540): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:40:35 (7540): 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
11:56:09 (7540): C:/Windows/system32/cmd.exe exited; CPU time 938.703125
11:56:09 (7540): 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: 23958165 bytes.
Dumping objects ->
{3835236} normal block at 0x000002D16AE70A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002D16AE70FB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002D16AE708B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000002D16AE70840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000002D16AE707D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000002D16B00A990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002D16B020730, 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) : {3835147} normal block at 0x000002D1691CEBF0, 8 bytes long.
 Data: <  xi&#209;   > 00 00 78 69 D1 02 00 00 
{3834547} normal block at 0x000002D16B020CB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002D1691CE9C0, 8 bytes long.
 Data: <&#192;V k&#209;   > C0 56 06 6B D1 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002D1691D35B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002D1691C4620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002D1691D7B80, 16 bytes long.
 Data: <   i&#209;           > 18 7F 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002D1691D7130, 16 bytes long.
 Data: <&#240;~ i&#209;           > F0 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002D1691D1370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002D1691D7680, 16 bytes long.
 Data: <&#200;~ i&#209;           > C8 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002D1691D6E60, 16 bytes long.
 Data: <&#160;~ i&#209;           > A0 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D1691D72C0, 16 bytes long.
 Data: <x~ i&#209;           > 78 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D1691D6F00, 16 bytes long.
 Data: <P~ i&#209;           > 50 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D1691D1B50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002D1691D7310, 16 bytes long.
 Data: <H&#239; i&#209;           > 48 EF 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D1691D0E90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002D1691D6DC0, 16 bytes long.
 Data: < &#239; i&#209;           > 20 EF 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D1691D7270, 16 bytes long.
 Data: <&#248;&#238; i&#209;           > F8 EE 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D1691D6D70, 16 bytes long.
 Data: <&#208;&#238; i&#209;           > D0 EE 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D1691D6D20, 16 bytes long.
 Data: <&#168;&#238; i&#209;           > A8 EE 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D1691D77C0, 16 bytes long.
 Data: < &#238; i&#209;           > 80 EE 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D1691D7900, 16 bytes long.
 Data: <X&#238; i&#209;           > 58 EE 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D1691D0710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002D1691D7860, 16 bytes long.
 Data: <0&#238; i&#209;           > 30 EE 1B 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D1691BEE30, 320 bytes long.
 Data: <`x i&#209;      i&#209;   > 60 78 1D 69 D1 02 00 00 10 07 1D 69 D1 02 00 00 
{280} normal block at 0x000002D1691D6C80, 16 bytes long.
 Data: <0~ i&#209;           > 30 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D1691D74A0, 16 bytes long.
 Data: < ~ i&#209;           > 08 7E 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D1691D09B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002D1691D7220, 16 bytes long.
 Data: <&#224;} i&#209;           > E0 7D 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D1691D0E30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002D1691D7B30, 16 bytes long.
 Data: <(} i&#209;           > 28 7D 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D1691D76D0, 16 bytes long.
 Data: < } i&#209;           > 00 7D 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D1691D7720, 16 bytes long.
 Data: <&#216;| i&#209;           > D8 7C 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D1691D71D0, 16 bytes long.
 Data: <&#176;| i&#209;           > B0 7C 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D1691D7630, 16 bytes long.
 Data: < | i&#209;           > 88 7C 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D1691D6CD0, 16 bytes long.
 Data: <`| i&#209;           > 60 7C 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D1691D6E10, 16 bytes long.
 Data: <&#176;  i&#209;           > B0 18 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D1691D18B0, 40 bytes long.
 Data: < n i&#209;    &#169; k&#209;   > 10 6E 1D 69 D1 02 00 00 90 A9 00 6B D1 02 00 00 
{266} normal block at 0x000002D1691D7AE0, 16 bytes long.
 Data: <@| i&#209;           > 40 7C 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D1691D7090, 16 bytes long.
 Data: < | i&#209;           > 18 7C 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D1691D10D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002D1691D6EB0, 16 bytes long.
 Data: <&#240;{ i&#209;           > F0 7B 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D1691D7BF0, 992 bytes long.
 Data: <&#176;n i&#209;   &#208;  i&#209;   > B0 6E 1D 69 D1 02 00 00 D0 10 1D 69 D1 02 00 00 
{98} normal block at 0x000002D1691D0FB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002D1691CF140, 16 bytes long.
 Data: <&#208;  i&#209;           > D0 17 1D 69 D1 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002D1691D17D0, 40 bytes long.
 Data: <@&#241; i&#209;   &#176;  i&#209;   > 40 F1 1C 69 D1 02 00 00 B0 0F 1D 69 D1 02 00 00 
{75} normal block at 0x000002D1691CED80, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002D1691CF050, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002D1691CF000, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002D1691CE740, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002D1691CEFB0, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002D1691CE8D0, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D1691CEC40, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D1691CEF60, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D1691CF0F0, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D1691CEF10, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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