Task 38697532

Name test_124-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8708_0
Workunit 31638098
Created 1 Nov 2026, 16:31:28 UTC
Sent 1 Nov 2026, 16:31:33 UTC
Report deadline 6 Nov 2026, 16:31:33 UTC
Received 1 Nov 2026, 17:19:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644950
Run time 35 min 25 sec
CPU time 33 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.88 MB
Peak swap size 6.86 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:44:11 (21876): wrapper (7.9.26016): starting
10:44:11 (21876): 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
10:44:12 (21876): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:44:12 (21876): 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\1\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\1\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
11:19:06 (21876): C:/Windows/system32/cmd.exe exited; CPU time 2030.078125
11:19:06 (21876): 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: 44748705 bytes.
Dumping objects ->
{3835266} normal block at 0x000002748C619560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002748C619950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002748C619250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000002748C619CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002748C619720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000002748E1F4500, 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) : {3835178} normal block at 0x000002748C5EDFE0, 8 bytes long.
 Data: <  1&#142;t   > 00 00 31 8E 74 02 00 00 
{3833967} normal block at 0x000002748C5ED950, 8 bytes long.
 Data: < &#235;l&#140;t   > 80 EB 6C 8C 74 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002748C5F24C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002748C5E70A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002748C5F6C50, 16 bytes long.
 Data: < p_&#140;t           > 88 70 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002748C5F6660, 16 bytes long.
 Data: <`p_&#140;t           > 60 70 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002748C5EFFE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002748C5F6C00, 16 bytes long.
 Data: <8p_&#140;t           > 38 70 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002748C5F6BB0, 16 bytes long.
 Data: < p_&#140;t           > 10 70 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002748C5F5E90, 16 bytes long.
 Data: <&#232;o_&#140;t           > E8 6F 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002748C5F6070, 16 bytes long.
 Data: <&#192;o_&#140;t           > C0 6F 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002748C5F0630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002748C5F6B60, 16 bytes long.
 Data: <X&#244;]&#140;t           > 58 F4 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002748C5F03A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002748C5F5F30, 16 bytes long.
 Data: <0&#244;]&#140;t           > 30 F4 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002748C5F5EE0, 16 bytes long.
 Data: < &#244;]&#140;t           > 08 F4 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002748C5F6200, 16 bytes long.
 Data: <&#224;&#243;]&#140;t           > E0 F3 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002748C5F66B0, 16 bytes long.
 Data: <&#184;&#243;]&#140;t           > B8 F3 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002748C5F65C0, 16 bytes long.
 Data: < &#243;]&#140;t           > 90 F3 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002748C5F6610, 16 bytes long.
 Data: <h&#243;]&#140;t           > 68 F3 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002748C5EF620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002748C5F6A70, 16 bytes long.
 Data: <@&#243;]&#140;t           > 40 F3 5D 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002748C5DF340, 320 bytes long.
 Data: <pj_&#140;t    &#246;^&#140;t   > 70 6A 5F 8C 74 02 00 00 20 F6 5E 8C 74 02 00 00 
{279} normal block at 0x000002748C5F6A20, 16 bytes long.
 Data: <&#160;o_&#140;t           > A0 6F 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002748C5F69D0, 16 bytes long.
 Data: <xo_&#140;t           > 78 6F 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002748C5EFE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002748C5F6020, 16 bytes long.
 Data: <Po_&#140;t           > 50 6F 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002748C5EFF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002748C5F6980, 16 bytes long.
 Data: < n_&#140;t           > 98 6E 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002748C5F5DA0, 16 bytes long.
 Data: <pn_&#140;t           > 70 6E 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002748C5F6890, 16 bytes long.
 Data: <Hn_&#140;t           > 48 6E 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002748C5F6840, 16 bytes long.
 Data: < n_&#140;t           > 20 6E 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002748C5F6930, 16 bytes long.
 Data: <&#248;m_&#140;t           > F8 6D 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002748C5F6B10, 16 bytes long.
 Data: <&#208;m_&#140;t           > D0 6D 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002748C5F6570, 16 bytes long.
 Data: <&#240; _&#140;t           > F0 07 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002748C5F07F0, 40 bytes long.
 Data: <pe_&#140;t    E &#142;t   > 70 65 5F 8C 74 02 00 00 00 45 1F 8E 74 02 00 00 
{265} normal block at 0x000002748C5F67F0, 16 bytes long.
 Data: <&#176;m_&#140;t           > B0 6D 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002748C5F5F80, 16 bytes long.
 Data: < m_&#140;t           > 88 6D 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002748C5EF7A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002748C5F6390, 16 bytes long.
 Data: <`m_&#140;t           > 60 6D 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002748C5F6D60, 992 bytes long.
 Data: < c_&#140;t   &#160;&#247;^&#140;t   > 90 63 5F 8C 74 02 00 00 A0 F7 5E 8C 74 02 00 00 
{97} normal block at 0x000002748C5EFA40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002748C5EE620, 16 bytes long.
 Data: <0 _&#140;t           > 30 0D 5F 8C 74 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002748C5F0D30, 40 bytes long.
 Data: < &#230;^&#140;t   @&#250;^&#140;t   > 20 E6 5E 8C 74 02 00 00 40 FA 5E 8C 74 02 00 00 
{74} normal block at 0x000002748C5EDB80, 16 bytes long.
 Data: < &#234;4i&#246;           > 80 EA 34 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002748C5EDCC0, 16 bytes long.
 Data: <@&#233;4i&#246;           > 40 E9 34 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002748C5ED9F0, 16 bytes long.
 Data: <&#248;W1i&#246;           > F8 57 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002748C5EDEF0, 16 bytes long.
 Data: <&#216;W1i&#246;           > D8 57 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002748C5EE170, 16 bytes long.
 Data: <P 1i&#246;           > 50 04 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002748C5EE580, 16 bytes long.
 Data: <0 1i&#246;           > 30 04 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002748C5EE080, 16 bytes long.
 Data: <&#224; 1i&#246;           > E0 02 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002748C5EDE00, 16 bytes long.
 Data: <  1i&#246;           > 10 04 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002748C5EDF90, 16 bytes long.
 Data: <p 1i&#246;           > 70 04 31 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002748C5EE5D0, 16 bytes long.
 Data: < &#192;/i&#246;           > 18 C0 2F 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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