Task 38675139

Name test_637-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0567_0
Workunit 31617136
Created 26 Oct 2026, 7:23:38 UTC
Sent 26 Oct 2026, 7:23:38 UTC
Report deadline 31 Oct 2026, 7:23:38 UTC
Received 26 Oct 2026, 10:23:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 14 min 46 sec
CPU time 1 hours 7 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.68 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:09:42 (8720): wrapper (7.9.26016): starting
02:09:42 (8720): 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
02:09:50 (8720): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:09:50 (8720): 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
03:22:51 (8720): C:/Windows/system32/cmd.exe exited; CPU time 4073.000000
03:22:51 (8720): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 69264127 bytes.
Dumping objects ->
{3835449} normal block at 0x0000020F1EA49A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000020F1EA243C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000020F1EA244A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000020F1EA24270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000020F1EA240B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000020F206DC4C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000020F1EA7C140, 140 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) : {3835360} normal block at 0x0000020F1EA1F430, 8 bytes long.
 Data: <  &#239;     > 00 00 EF 1E 0F 02 00 00 
{3834646} normal block at 0x0000020F1EA7C480, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000020F1EA1F660, 8 bytes long.
 Data: < &#230;&#175;     > 00 E6 AF 1E 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020F1EA204E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020F1EA157C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000020F1EA25390, 16 bytes long.
 Data: < K&#162;             > 18 4B A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F1EA24F80, 16 bytes long.
 Data: <&#240;J&#162;             > F0 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020F1EA1E120, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000020F1EA25B10, 16 bytes long.
 Data: <&#200;J&#162;             > C8 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F1EA250C0, 16 bytes long.
 Data: <&#160;J&#162;             > A0 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020F1EA25200, 16 bytes long.
 Data: <xJ&#162;             > 78 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F1EA258E0, 16 bytes long.
 Data: <PJ&#162;             > 50 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020F1EA242E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000020F1EA25890, 16 bytes long.
 Data: < &#133;&#161;             > 08 85 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F1EA1E0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000020F1EA259D0, 16 bytes long.
 Data: <&#224;&#132;&#161;             > E0 84 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F1EA25840, 16 bytes long.
 Data: <&#184;&#132;&#161;             > B8 84 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F1EA25A70, 16 bytes long.
 Data: < &#132;&#161;             > 90 84 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F1EA24EE0, 16 bytes long.
 Data: <h&#132;&#161;             > 68 84 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020F1EA25570, 16 bytes long.
 Data: <@&#132;&#161;             > 40 84 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F1EA25B60, 16 bytes long.
 Data: < &#132;&#161;             > 18 84 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020F1EA1DE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000020F1EA25BB0, 16 bytes long.
 Data: <&#240;&#131;&#161;             > F0 83 A1 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F1EA183F0, 320 bytes long.
 Data: <&#176;[&#162;      &#222;&#161;     > B0 5B A2 1E 0F 02 00 00 80 DE A1 1E 0F 02 00 00 
{272} normal block at 0x0000020F1EA251B0, 16 bytes long.
 Data: <0J&#162;             > 30 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F1EA25700, 16 bytes long.
 Data: < J&#162;             > 08 4A A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020F1EA1E240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000020F1EA25160, 16 bytes long.
 Data: <&#224;I&#162;             > E0 49 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F1EA1E780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000020F1EA257F0, 16 bytes long.
 Data: <(I&#162;             > 28 49 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F1EA24E90, 16 bytes long.
 Data: < I&#162;             > 00 49 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020F1EA253E0, 16 bytes long.
 Data: <&#216;H&#162;             > D8 48 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F1EA1F930, 16 bytes long.
 Data: <&#176;H&#162;             > B0 48 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F1EA1F8E0, 16 bytes long.
 Data: < H&#162;             > 88 48 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F1EA1EC10, 16 bytes long.
 Data: <`H&#162;             > 60 48 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F1EA1F840, 16 bytes long.
 Data: < A&#162;             > 20 41 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020F1EA24120, 40 bytes long.
 Data: <@&#248;&#161;     &#192;&#196;m     > 40 F8 A1 1E 0F 02 00 00 C0 C4 6D 20 0F 02 00 00 
{258} normal block at 0x0000020F1EA1F7F0, 16 bytes long.
 Data: <@H&#162;             > 40 48 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F1EA1F480, 16 bytes long.
 Data: < H&#162;             > 18 48 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020F1EA1E720, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000020F1EA1F0C0, 16 bytes long.
 Data: <&#240;G&#162;             > F0 47 A2 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020F1EA247F0, 992 bytes long.
 Data: <&#192;&#240;&#161;      &#231;&#161;     > C0 F0 A1 1E 0F 02 00 00 20 E7 A1 1E 0F 02 00 00 
{90} normal block at 0x0000020F1EA1DE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000020F1EA1F2F0, 16 bytes long.
 Data: <&#160;&#198;&#160;             > A0 C6 A0 1E 0F 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000020F1EA0C6A0, 40 bytes long.
 Data: <&#240;&#242;&#161;      &#222;&#161;     > F0 F2 A1 1E 0F 02 00 00 20 DE A1 1E 0F 02 00 00 
{67} normal block at 0x0000020F1EA1EB70, 16 bytes long.
 Data: < &#234;>B&#247;           > 80 EA 3E 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F1EA1F2A0, 16 bytes long.
 Data: <@&#233;>B&#247;           > 40 E9 3E 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F1EA1F980, 16 bytes long.
 Data: <&#248;W;B&#247;           > F8 57 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F1EA1F390, 16 bytes long.
 Data: <&#216;W;B&#247;           > D8 57 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F1EA1EB20, 16 bytes long.
 Data: <P ;B&#247;           > 50 04 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F1EA1EAD0, 16 bytes long.
 Data: <0 ;B&#247;           > 30 04 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F1EA1F520, 16 bytes long.
 Data: <&#224; ;B&#247;           > E0 02 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020F1EA1F9D0, 16 bytes long.
 Data: <  ;B&#247;           > 10 04 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F1EA1F200, 16 bytes long.
 Data: <p ;B&#247;           > 70 04 3B 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020F1EA1FA20, 16 bytes long.
 Data: < &#192;9B&#247;           > 18 C0 39 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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