Task 38687047

Name test_739-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5626_0
Workunit 31628453
Created 28 Oct 2026, 5:44:39 UTC
Sent 28 Oct 2026, 5:44:44 UTC
Report deadline 2 Nov 2026, 5:44:44 UTC
Received 28 Oct 2026, 6:36:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 54 sec
CPU time 46 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.49 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
06:48:06 (32004): wrapper (7.9.26016): starting
06:48:06 (32004): 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
06:48:07 (32004): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:48:07 (32004): 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\22\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\22\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
07:35:10 (32004): C:/Windows/system32/cmd.exe exited; CPU time 2814.406250
07:35:10 (32004): 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: 48199573 bytes.
Dumping objects ->
{3835363} normal block at 0x000001C0E901A8C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000001C0E901AEE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000001C0E7284CE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000001C0E72850D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000001C0E7284C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000001C0E9006C40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001C0E90588A0, 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) : {3835274} normal block at 0x000001C0E727F350, 8 bytes long.
 Data: <  &#131;&#231;&#192;   > 00 00 83 E7 C0 01 00 00 
{3834606} normal block at 0x000001C0E9058B60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C0E727F300, 8 bytes long.
 Data: <&#176;J &#233;&#192;   > B0 4A 06 E9 C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C0E7280E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C0E7276620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C0E7286300, 16 bytes long.
 Data: <&#200;h(&#231;&#192;           > C8 68 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C0E7285F90, 16 bytes long.
 Data: <&#160;h(&#231;&#192;           > A0 68 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C0E72804C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C0E72858B0, 16 bytes long.
 Data: <xh(&#231;&#192;           > 78 68 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C0E7285C20, 16 bytes long.
 Data: <Ph(&#231;&#192;           > 50 68 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C0E7285B80, 16 bytes long.
 Data: <(h(&#231;&#192;           > 28 68 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C0E7285E00, 16 bytes long.
 Data: < h(&#231;&#192;           > 00 68 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C0E7284E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C0E72855E0, 16 bytes long.
 Data: <h&#232;&&#231;&#192;           > 68 E8 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C0E72802E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C0E7286030, 16 bytes long.
 Data: <@&#232;&&#231;&#192;           > 40 E8 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C0E72864E0, 16 bytes long.
 Data: < &#232;&&#231;&#192;           > 18 E8 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C0E7285F40, 16 bytes long.
 Data: <&#240;&#231;&&#231;&#192;           > F0 E7 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C0E7285770, 16 bytes long.
 Data: <&#200;&#231;&&#231;&#192;           > C8 E7 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C0E7285B30, 16 bytes long.
 Data: <&#160;&#231;&&#231;&#192;           > A0 E7 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C0E7286120, 16 bytes long.
 Data: <x&#231;&&#231;&#192;           > 78 E7 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C0E72809A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C0E7285D60, 16 bytes long.
 Data: <P&#231;&&#231;&#192;           > 50 E7 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C0E726E750, 320 bytes long.
 Data: <`](&#231;&#192;   &#160;	(&#231;&#192;   > 60 5D 28 E7 C0 01 00 00 A0 09 28 E7 C0 01 00 00 
{278} normal block at 0x000001C0E7285CC0, 16 bytes long.
 Data: <&#224;g(&#231;&#192;           > E0 67 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C0E7285DB0, 16 bytes long.
 Data: <&#184;g(&#231;&#192;           > B8 67 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C0E72803A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C0E7285860, 16 bytes long.
 Data: < g(&#231;&#192;           > 90 67 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C0E727FCE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C0E7286490, 16 bytes long.
 Data: <&#216;f(&#231;&#192;           > D8 66 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C0E7285630, 16 bytes long.
 Data: <&#176;f(&#231;&#192;           > B0 66 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C0E72860D0, 16 bytes long.
 Data: < f(&#231;&#192;           > 88 66 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C0E7286210, 16 bytes long.
 Data: <`f(&#231;&#192;           > 60 66 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C0E7286260, 16 bytes long.
 Data: <8f(&#231;&#192;           > 38 66 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C0E72863F0, 16 bytes long.
 Data: < f(&#231;&#192;           > 10 66 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C0E72862B0, 16 bytes long.
 Data: <PM(&#231;&#192;           > 50 4D 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C0E7284D50, 40 bytes long.
 Data: <&#176;b(&#231;&#192;   @l &#233;&#192;   > B0 62 28 E7 C0 01 00 00 40 6C 00 E9 C0 01 00 00 
{264} normal block at 0x000001C0E7286170, 16 bytes long.
 Data: <&#240;e(&#231;&#192;           > F0 65 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C0E7285C70, 16 bytes long.
 Data: <&#200;e(&#231;&#192;           > C8 65 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C0E7280280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C0E72857C0, 16 bytes long.
 Data: <&#160;e(&#231;&#192;           > A0 65 28 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C0E72865A0, 992 bytes long.
 Data: <&#192;W(&#231;&#192;     (&#231;&#192;   > C0 57 28 E7 C0 01 00 00 80 02 28 E7 C0 01 00 00 
{96} normal block at 0x000001C0E7280820, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C0E727F260, 16 bytes long.
 Data: <p&#213;&&#231;&#192;           > 70 D5 26 E7 C0 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C0E726D570, 40 bytes long.
 Data: <`&#242;'&#231;&#192;     (&#231;&#192;   > 60 F2 27 E7 C0 01 00 00 20 08 28 E7 C0 01 00 00 
{73} normal block at 0x000001C0E727F850, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C0E727F0D0, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C0E727F210, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C0E727F170, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C0E727F8F0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C0E727F7B0, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C0E727EE50, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C0E727EC20, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C0E727EBD0, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C0E727F4E0, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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