Task 38688835

Name test_700-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2043_0
Workunit 31630144
Created 28 Oct 2026, 16:28:17 UTC
Sent 28 Oct 2026, 16:28:21 UTC
Report deadline 2 Nov 2026, 16:28:21 UTC
Received 28 Oct 2026, 17:07:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 31 min 10 sec
CPU time 21 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.00 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:31:03 (24180): wrapper (7.9.26016): starting
09:31:03 (24180): 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
09:31:04 (24180): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:31:04 (24180): 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\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 'C:\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
10:01:24 (24180): C:/Windows/system32/cmd.exe exited; CPU time 1306.937500
10:01:24 (24180): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 27167925 bytes.
Dumping objects ->
{3835240} normal block at 0x000002872A6C5B00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002872A6C5940, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002872A6C5C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002872A6C5DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002872A6C58D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002872C3E7500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002872C4446C0, 155 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) : {3835151} normal block at 0x000002872A6BFAD0, 8 bytes long.
 Data: <  e*&#135;   > 00 00 65 2A 87 02 00 00 
{3834548} normal block at 0x000002872C443FC0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002872A6BFD50, 8 bytes long.
 Data: < &#138;=,&#135;   > 00 8A 3D 2C 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002872A6C1FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002872A6AEB90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002872A6C60D0, 16 bytes long.
 Data: <&#184;sl*&#135;           > B8 73 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002872A6C6350, 16 bytes long.
 Data: < sl*&#135;           > 90 73 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002872A6C1080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002872A6C6FD0, 16 bytes long.
 Data: <hsl*&#135;           > 68 73 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002872A6C6850, 16 bytes long.
 Data: <@sl*&#135;           > 40 73 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002872A6C63A0, 16 bytes long.
 Data: < sl*&#135;           > 18 73 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002872A6C6F80, 16 bytes long.
 Data: <&#240;rl*&#135;           > F0 72 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002872A6C5A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002872A6C6EE0, 16 bytes long.
 Data: <x&#246;j*&#135;           > 78 F6 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002872A6C0D20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002872A6C6210, 16 bytes long.
 Data: <P&#246;j*&#135;           > 50 F6 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002872A6C6800, 16 bytes long.
 Data: <(&#246;j*&#135;           > 28 F6 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002872A6C7020, 16 bytes long.
 Data: < &#246;j*&#135;           > 00 F6 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002872A6C68A0, 16 bytes long.
 Data: <&#216;&#245;j*&#135;           > D8 F5 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002872A6C6E90, 16 bytes long.
 Data: <&#176;&#245;j*&#135;           > B0 F5 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002872A6C6670, 16 bytes long.
 Data: < &#245;j*&#135;           > 88 F5 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002872A6C03C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002872A6C6710, 16 bytes long.
 Data: <`&#245;j*&#135;           > 60 F5 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002872A6AF560, 320 bytes long.
 Data: < gl*&#135;   &#192; l*&#135;   > 10 67 6C 2A 87 02 00 00 C0 03 6C 2A 87 02 00 00 
{274} normal block at 0x000002872A6C6E40, 16 bytes long.
 Data: <&#208;rl*&#135;           > D0 72 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002872A6C6DF0, 16 bytes long.
 Data: <&#168;rl*&#135;           > A8 72 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002872A6C0C60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002872A6C6DA0, 16 bytes long.
 Data: < rl*&#135;           > 80 72 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002872A6C1020, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002872A6C6D50, 16 bytes long.
 Data: <&#200;ql*&#135;           > C8 71 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002872A6C6C60, 16 bytes long.
 Data: <&#160;ql*&#135;           > A0 71 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002872A6C67B0, 16 bytes long.
 Data: <xql*&#135;           > 78 71 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002872A6C6620, 16 bytes long.
 Data: <Pql*&#135;           > 50 71 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002872A6C6D00, 16 bytes long.
 Data: <(ql*&#135;           > 28 71 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002872A6C6170, 16 bytes long.
 Data: < ql*&#135;           > 00 71 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002872A6C6300, 16 bytes long.
 Data: <`Xl*&#135;           > 60 58 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002872A6C5860, 40 bytes long.
 Data: < cl*&#135;    u>,&#135;   > 00 63 6C 2A 87 02 00 00 00 75 3E 2C 87 02 00 00 
{260} normal block at 0x000002872A6C6CB0, 16 bytes long.
 Data: <&#224;pl*&#135;           > E0 70 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002872A6C61C0, 16 bytes long.
 Data: <&#184;pl*&#135;           > B8 70 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002872A6C0B40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002872A6C62B0, 16 bytes long.
 Data: < pl*&#135;           > 90 70 6C 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002872A6C7090, 992 bytes long.
 Data: <&#176;bl*&#135;   @ l*&#135;   > B0 62 6C 2A 87 02 00 00 40 0B 6C 2A 87 02 00 00 
{92} normal block at 0x000002872A6C0A80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002872A6BF3A0, 16 bytes long.
 Data: <&#160;&#254;j*&#135;           > A0 FE 6A 2A 87 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002872A6AFEA0, 40 bytes long.
 Data: <&#160;&#243;k*&#135;     l*&#135;   > A0 F3 6B 2A 87 02 00 00 80 0A 6C 2A 87 02 00 00 
{69} normal block at 0x000002872A6BF7B0, 16 bytes long.
 Data: < &#234;}{&#246;           > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002872A6BFEE0, 16 bytes long.
 Data: <@&#233;}{&#246;           > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002872A6BF8A0, 16 bytes long.
 Data: <&#248;Wz{&#246;           > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002872A6BFE90, 16 bytes long.
 Data: <&#216;Wz{&#246;           > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002872A6C0070, 16 bytes long.
 Data: <P z{&#246;           > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002872A6BFD00, 16 bytes long.
 Data: <0 z{&#246;           > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002872A6C01B0, 16 bytes long.
 Data: <&#224; z{&#246;           > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002872A6BFF80, 16 bytes long.
 Data: <  z{&#246;           > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002872A6C0160, 16 bytes long.
 Data: <p z{&#246;           > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002872A6BF350, 16 bytes long.
 Data: < &#192;x{&#246;           > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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