Task 38680282

Name test_56-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8245_0
Workunit 31622008
Created 26 Oct 2026, 23:25:44 UTC
Sent 26 Oct 2026, 23:25:52 UTC
Report deadline 31 Oct 2026, 23:25:52 UTC
Received 27 Oct 2026, 0:03:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 24 min 8 sec
CPU time 20 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.60 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
19:39:50 (43716): wrapper (7.9.26016): starting
19:39:50 (43716): 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
19:39:52 (43716): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:39:52 (43716): 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\24\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\24\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
20:02:43 (43716): C:/Windows/system32/cmd.exe exited; CPU time 1226.734375
20:02:43 (43716): 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: 37716991 bytes.
Dumping objects ->
{3835602} normal block at 0x00000250D957F430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x00000250D957F6D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x00000250D957FCF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x00000250D77E6990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000250D77E67D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x00000250D95C6DD0, 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) : {3835514} normal block at 0x00000250D77DBC40, 8 bytes long.
 Data: <  G&#217;P   > 00 00 47 D9 50 02 00 00 
{3833973} normal block at 0x00000250D77DBCE0, 8 bytes long.
 Data: <&#192;&#233;|&#215;P   > C0 E9 7C D7 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000250D77E2780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000250D77D7830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000250D77E85B0, 16 bytes long.
 Data: <8&#138;~&#215;P           > 38 8A 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000250D77E8010, 16 bytes long.
 Data: < &#138;~&#215;P           > 10 8A 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000250D77E0B50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x00000250D77E7AC0, 16 bytes long.
 Data: <&#232;&#137;~&#215;P           > E8 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000250D77E7E80, 16 bytes long.
 Data: <&#192;&#137;~&#215;P           > C0 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000250D77E7FC0, 16 bytes long.
 Data: < &#137;~&#215;P           > 98 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000250D77E7BB0, 16 bytes long.
 Data: <p&#137;~&#215;P           > 70 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000250D77E6D10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000250D77E7E30, 16 bytes long.
 Data: <  }&#215;P           > 18 05 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000250D77E0BB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x00000250D77E7840, 16 bytes long.
 Data: <&#240; }&#215;P           > F0 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000250D77E8060, 16 bytes long.
 Data: <&#200; }&#215;P           > C8 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000250D77E82E0, 16 bytes long.
 Data: <&#160; }&#215;P           > A0 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000250D77E8470, 16 bytes long.
 Data: <x }&#215;P           > 78 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000250D77E81A0, 16 bytes long.
 Data: <P }&#215;P           > 50 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000250D77E8380, 16 bytes long.
 Data: <( }&#215;P           > 28 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000250D77E03D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000250D77E8100, 16 bytes long.
 Data: <  }&#215;P           > 00 04 7D D7 50 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000250D77D0400, 320 bytes long.
 Data: <  ~&#215;P   &#208; ~&#215;P   > 00 81 7E D7 50 02 00 00 D0 03 7E D7 50 02 00 00 
{282} normal block at 0x00000250D77E7D40, 16 bytes long.
 Data: <P&#137;~&#215;P           > 50 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000250D77E81F0, 16 bytes long.
 Data: <(&#137;~&#215;P           > 28 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000250D77E0730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x00000250D77E7F70, 16 bytes long.
 Data: < &#137;~&#215;P           > 00 89 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000250D77E09D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x00000250D77E8330, 16 bytes long.
 Data: <H ~&#215;P           > 48 88 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000250D77E77F0, 16 bytes long.
 Data: <  ~&#215;P           > 20 88 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000250D77E7B60, 16 bytes long.
 Data: <&#248;&#135;~&#215;P           > F8 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000250D77E7DE0, 16 bytes long.
 Data: <&#208;&#135;~&#215;P           > D0 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000250D77E7930, 16 bytes long.
 Data: <&#168;&#135;~&#215;P           > A8 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000250D77E8150, 16 bytes long.
 Data: < &#135;~&#215;P           > 80 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000250D77E7F20, 16 bytes long.
 Data: < i~&#215;P           > 20 69 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000250D77E6920, 40 bytes long.
 Data: <  ~&#215;P   &#208;m\&#217;P   > 20 7F 7E D7 50 02 00 00 D0 6D 5C D9 50 02 00 00 
{268} normal block at 0x00000250D77E7CF0, 16 bytes long.
 Data: <`&#135;~&#215;P           > 60 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000250D77E8240, 16 bytes long.
 Data: <8&#135;~&#215;P           > 38 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000250D77E1210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x00000250D77E7A20, 16 bytes long.
 Data: < &#135;~&#215;P           > 10 87 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000250D77E8710, 992 bytes long.
 Data: < z~&#215;P     ~&#215;P   > 20 7A 7E D7 50 02 00 00 10 12 7E D7 50 02 00 00 
{100} normal block at 0x00000250D77E1150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x00000250D77DC370, 16 bytes long.
 Data: < m~&#215;P           > 80 6D 7E D7 50 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x00000250D77E6D80, 40 bytes long.
 Data: <p&#195;}&#215;P   P ~&#215;P   > 70 C3 7D D7 50 02 00 00 50 11 7E D7 50 02 00 00 
{77} normal block at 0x00000250D77DC460, 16 bytes long.
 Data: < &#234;&#236; &#247;           > 80 EA EC 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000250D77DC910, 16 bytes long.
 Data: <@&#233;&#236; &#247;           > 40 E9 EC 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000250D77DC320, 16 bytes long.
 Data: <&#248;W&#233; &#247;           > F8 57 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000250D77DC0A0, 16 bytes long.
 Data: <&#216;W&#233; &#247;           > D8 57 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000250D77DC640, 16 bytes long.
 Data: <P &#233; &#247;           > 50 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000250D77DC870, 16 bytes long.
 Data: <0 &#233; &#247;           > 30 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000250D77DCB40, 16 bytes long.
 Data: <&#224; &#233; &#247;           > E0 02 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000250D77DC820, 16 bytes long.
 Data: <  &#233; &#247;           > 10 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000250D77DC190, 16 bytes long.
 Data: <p &#233; &#247;           > 70 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000250D77DCAF0, 16 bytes long.
 Data: < &#192;&#231; &#247;           > 18 C0 E7 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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