Task 38677494

Name test_92-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3868_0
Workunit 31619364
Created 26 Oct 2026, 14:31:30 UTC
Sent 26 Oct 2026, 14:31:35 UTC
Report deadline 31 Oct 2026, 14:31:35 UTC
Received 26 Oct 2026, 16:09:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 50 min 6 sec
CPU time 43 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.42 MB
Peak swap size 3.08 GB
Peak disk usage 3.99 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:18:22 (2088): wrapper (7.9.26016): starting
17:18:22 (2088): 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
17:18:24 (2088): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:18:24 (2088): 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 'D:\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 'D:\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
18:07:03 (2088): C:/Windows/system32/cmd.exe exited; CPU time 2595.968750
18:07:03 (2088): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 33312247 bytes.
Dumping objects ->
{3835253} normal block at 0x000002E1A99CC300, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002E1A99CCC30, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002E1A99CCDF0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002E1A7ECC6C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002E1A7ECC570, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002E1A9A14830, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000002E1A7ED09D0, 160 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) : {3835164} normal block at 0x000002E1A7EC79B0, 8 bytes long.
 Data: <  &#133;&#169;&#225;   > 00 00 85 A9 E1 02 00 00 
{3834552} normal block at 0x000002E1A7ED03B0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000002E1A7EC7960, 8 bytes long.
 Data: <0&&#167;&#169;&#225;   > 30 26 A7 A9 E1 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002E1A7ED27B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E1A7EBB470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000002E1A7ED3B60, 16 bytes long.
 Data: <&#184;X&#237;&#167;&#225;           > B8 58 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002E1A7ED3D90, 16 bytes long.
 Data: < X&#237;&#167;&#225;           > 90 58 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E1A7ECE1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000002E1A7ED39D0, 16 bytes long.
 Data: <hX&#237;&#167;&#225;           > 68 58 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E1A7ED3930, 16 bytes long.
 Data: <@X&#237;&#167;&#225;           > 40 58 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E1A7ED38E0, 16 bytes long.
 Data: < X&#237;&#167;&#225;           > 18 58 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E1A7ED4380, 16 bytes long.
 Data: <&#240;W&#237;&#167;&#225;           > F0 57 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E1A7ECC260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000002E1A7ED4330, 16 bytes long.
 Data: <&#184;\&#235;&#167;&#225;           > B8 5C EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E1A7ECDF20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000002E1A7ED4290, 16 bytes long.
 Data: < \&#235;&#167;&#225;           > 90 5C EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E1A7ED3CA0, 16 bytes long.
 Data: <h\&#235;&#167;&#225;           > 68 5C EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002E1A7ED3700, 16 bytes long.
 Data: <@\&#235;&#167;&#225;           > 40 5C EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E1A7ED4240, 16 bytes long.
 Data: < \&#235;&#167;&#225;           > 18 5C EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E1A7ED3840, 16 bytes long.
 Data: <&#240;[&#235;&#167;&#225;           > F0 5B EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E1A7ED3980, 16 bytes long.
 Data: <&#200;[&#235;&#167;&#225;           > C8 5B EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E1A7ECDAA0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x000002E1A7ED3A20, 16 bytes long.
 Data: <&#160;[&#235;&#167;&#225;           > A0 5B EB A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E1A7EB5BA0, 320 bytes long.
 Data: < :&#237;&#167;&#225;   &#160;&#218;&#236;&#167;&#225;   > 20 3A ED A7 E1 02 00 00 A0 DA EC A7 E1 02 00 00 
{267} normal block at 0x000002E1A7ED3B10, 16 bytes long.
 Data: <&#208;W&#237;&#167;&#225;           > D0 57 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E1A7ED36B0, 16 bytes long.
 Data: <&#168;W&#237;&#167;&#225;           > A8 57 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E1A7ECDBC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000002E1A7ED41A0, 16 bytes long.
 Data: < W&#237;&#167;&#225;           > 80 57 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002E1A7ECE160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000002E1A7ED42E0, 16 bytes long.
 Data: <&#200;V&#237;&#167;&#225;           > C8 56 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E1A7ED3660, 16 bytes long.
 Data: <&#160;V&#237;&#167;&#225;           > A0 56 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002E1A7ED37F0, 16 bytes long.
 Data: <xV&#237;&#167;&#225;           > 78 56 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E1A7ED41F0, 16 bytes long.
 Data: <PV&#237;&#167;&#225;           > 50 56 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002E1A7ED3BB0, 16 bytes long.
 Data: <(V&#237;&#167;&#225;           > 28 56 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002E1A7ED3F20, 16 bytes long.
 Data: < V&#237;&#167;&#225;           > 00 56 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002E1A7ED3CF0, 16 bytes long.
 Data: <&#224;&#197;&#236;&#167;&#225;           > E0 C5 EC A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002E1A7ECC5E0, 40 bytes long.
 Data: <&#240;<&#237;&#167;&#225;   0H&#161;&#169;&#225;   > F0 3C ED A7 E1 02 00 00 30 48 A1 A9 E1 02 00 00 
{253} normal block at 0x000002E1A7ED3AC0, 16 bytes long.
 Data: <&#224;U&#237;&#167;&#225;           > E0 55 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002E1A7ED37A0, 16 bytes long.
 Data: <&#184;U&#237;&#167;&#225;           > B8 55 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002E1A7ECE100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000002E1A7ED3C50, 16 bytes long.
 Data: < U&#237;&#167;&#225;           > 90 55 ED A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002E1A7ED5590, 992 bytes long.
 Data: <P<&#237;&#167;&#225;    &#225;&#236;&#167;&#225;   > 50 3C ED A7 E1 02 00 00 00 E1 EC A7 E1 02 00 00 
{85} normal block at 0x000002E1A7ECE640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000002E1A7EC78C0, 16 bytes long.
 Data: <&#240;&#193;&#236;&#167;&#225;           > F0 C1 EC A7 E1 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002E1A7ECC1F0, 40 bytes long.
 Data: <&#192;x&#236;&#167;&#225;   @&#230;&#236;&#167;&#225;   > C0 78 EC A7 E1 02 00 00 40 E6 EC A7 E1 02 00 00 
{62} normal block at 0x000002E1A7EC7E60, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002E1A7EC80E0, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002E1A7EC8310, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002E1A7EC7820, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002E1A7EC75A0, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002E1A7EC7780, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002E1A7EC8360, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002E1A7EC7AA0, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002E1A7EC8040, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002E1A7EC76E0, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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