Task 38688586

Name test_975-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4681_0
Workunit 31629924
Created 28 Oct 2026, 14:56:39 UTC
Sent 28 Oct 2026, 14:56:42 UTC
Report deadline 2 Nov 2026, 14:56:42 UTC
Received 28 Oct 2026, 15:28:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607849
Run time 26 min 50 sec
CPU time 24 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.27 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:02:33 (2360): wrapper (7.9.26016): starting
16:02:33 (2360): 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
16:02:34 (2360): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:02:34 (2360): 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\9\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\9\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
16:28:24 (2360): C:/Windows/system32/cmd.exe exited; CPU time 1481.281250
16:28:24 (2360): 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: 25841963 bytes.
Dumping objects ->
{3835266} normal block at 0x00000211CF5DA580, 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 0x00000211CF5DABA0, 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 0x00000211CD936230, 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 0x00000211CD9361C0, 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 0x00000211CD935EB0, 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 0x00000211CF5EC910, 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 0x00000211CD92EA80, 8 bytes long.
 Data: <  &#214;&#205;    > 00 00 D6 CD 11 02 00 00 
{3833965} normal block at 0x00000211CD92E4E0, 8 bytes long.
 Data: < &#234;&#160;&#205;    > 20 EA A0 CD 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000211CD92F1D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000211CD927AC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000211CD937510, 16 bytes long.
 Data: <x{&#147;&#205;            > 78 7B 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000211CD936F20, 16 bytes long.
 Data: <P{&#147;&#205;            > 50 7B 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000211CD9312C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000211CD937790, 16 bytes long.
 Data: <({&#147;&#205;            > 28 7B 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000211CD9376F0, 16 bytes long.
 Data: < {&#147;&#205;            > 00 7B 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000211CD937100, 16 bytes long.
 Data: <&#216;z&#147;&#205;            > D8 7A 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000211CD9372E0, 16 bytes long.
 Data: <&#176;z&#147;&#205;            > B0 7A 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000211CD936070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000211CD936B60, 16 bytes long.
 Data: <8&#253;&#145;&#205;            > 38 FD 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000211CD930F60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000211CD9370B0, 16 bytes long.
 Data: < &#253;&#145;&#205;            > 10 FD 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000211CD937240, 16 bytes long.
 Data: <&#232;&#252;&#145;&#205;            > E8 FC 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000211CD937060, 16 bytes long.
 Data: <&#192;&#252;&#145;&#205;            > C0 FC 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000211CD936B10, 16 bytes long.
 Data: < &#252;&#145;&#205;            > 98 FC 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000211CD936890, 16 bytes long.
 Data: <p&#252;&#145;&#205;            > 70 FC 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000211CD936DE0, 16 bytes long.
 Data: <H&#252;&#145;&#205;            > 48 FC 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000211CD931200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000211CD936CA0, 16 bytes long.
 Data: < &#252;&#145;&#205;            > 20 FC 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000211CD91FC20, 320 bytes long.
 Data: <&#160;l&#147;&#205;      &#147;&#205;    > A0 6C 93 CD 11 02 00 00 00 12 93 CD 11 02 00 00 
{278} normal block at 0x00000211CD936FC0, 16 bytes long.
 Data: < z&#147;&#205;            > 90 7A 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000211CD9369D0, 16 bytes long.
 Data: <hz&#147;&#205;            > 68 7A 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000211CD930DE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000211CD937740, 16 bytes long.
 Data: <@z&#147;&#205;            > 40 7A 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000211CD931860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000211CD936ED0, 16 bytes long.
 Data: < y&#147;&#205;            > 88 79 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000211CD936D90, 16 bytes long.
 Data: <`y&#147;&#205;            > 60 79 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000211CD9376A0, 16 bytes long.
 Data: <8y&#147;&#205;            > 38 79 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000211CD936E30, 16 bytes long.
 Data: < y&#147;&#205;            > 10 79 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000211CD9371F0, 16 bytes long.
 Data: <&#232;x&#147;&#205;            > E8 78 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000211CD937650, 16 bytes long.
 Data: <&#192;x&#147;&#205;            > C0 78 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000211CD937600, 16 bytes long.
 Data: <&#160;b&#147;&#205;            > A0 62 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000211CD9362A0, 40 bytes long.
 Data: < v&#147;&#205;     &#201;^&#207;    > 00 76 93 CD 11 02 00 00 10 C9 5E CF 11 02 00 00 
{264} normal block at 0x00000211CD936CF0, 16 bytes long.
 Data: <&#160;x&#147;&#205;            > A0 78 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000211CD937290, 16 bytes long.
 Data: <xx&#147;&#205;            > 78 78 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000211CD930EA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000211CD936D40, 16 bytes long.
 Data: <Px&#147;&#205;            > 50 78 93 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000211CD937850, 992 bytes long.
 Data: <@m&#147;&#205;    &#160; &#147;&#205;    > 40 6D 93 CD 11 02 00 00 A0 0E 93 CD 11 02 00 00 
{96} normal block at 0x00000211CD931380, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000211CD92E1C0, 16 bytes long.
 Data: <P&#209;&#145;&#205;            > 50 D1 91 CD 11 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000211CD91D150, 40 bytes long.
 Data: <&#192;&#225;&#146;&#205;      &#147;&#205;    > C0 E1 92 CD 11 02 00 00 80 13 93 CD 11 02 00 00 
{73} normal block at 0x00000211CD92E8A0, 16 bytes long.
 Data: < &#234;5&#214;&#247;           > 80 EA 35 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000211CD92EF80, 16 bytes long.
 Data: <@&#233;5&#214;&#247;           > 40 E9 35 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000211CD92E670, 16 bytes long.
 Data: <&#248;W2&#214;&#247;           > F8 57 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000211CD92E210, 16 bytes long.
 Data: <&#216;W2&#214;&#247;           > D8 57 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000211CD92EF30, 16 bytes long.
 Data: <P 2&#214;&#247;           > 50 04 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000211CD92ECB0, 16 bytes long.
 Data: <0 2&#214;&#247;           > 30 04 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000211CD92E490, 16 bytes long.
 Data: <&#224; 2&#214;&#247;           > E0 02 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000211CD92E300, 16 bytes long.
 Data: <  2&#214;&#247;           > 10 04 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000211CD92EEE0, 16 bytes long.
 Data: <p 2&#214;&#247;           > 70 04 32 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000211CD92EE90, 16 bytes long.
 Data: < &#192;0&#214;&#247;           > 18 C0 30 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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