Task 38688054

Name test_387-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2858_0
Workunit 31629423
Created 28 Oct 2026, 11:20:38 UTC
Sent 28 Oct 2026, 11:20:42 UTC
Report deadline 2 Nov 2026, 11:20:42 UTC
Received 28 Oct 2026, 11:58:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654147
Run time 34 min 46 sec
CPU time 32 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,069.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.17 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:22:22 (13280): wrapper (7.9.26016): starting
12:22:22 (13280): 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
12:22:24 (13280): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:22:24 (13280): 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\11\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\11\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
12:55:52 (13280): C:/Windows/system32/cmd.exe exited; CPU time 1957.140625
12:55:52 (13280): 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: 32863437 bytes.
Dumping objects ->
{3835197} normal block at 0x0000020B37485100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000020B374856B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000020B35755BD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x0000020B35755B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000020B35755A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x0000020B374249B0, 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) : {3835109} normal block at 0x0000020B35750D70, 8 bytes long.
 Data: <  &#217;5    > 00 00 D9 35 0B 02 00 00 
{3833959} normal block at 0x0000020B35751130, 8 bytes long.
 Data: < &#214;&#130;5    > 20 D6 82 35 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020B3574FEF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B357477C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020B35756C00, 16 bytes long.
 Data: <hru5            > 68 72 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B35756160, 16 bytes long.
 Data: <@ru5            > 40 72 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B35752030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020B35755FD0, 16 bytes long.
 Data: < ru5            > 18 72 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B35755F80, 16 bytes long.
 Data: <&#240;qu5            > F0 71 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B35756700, 16 bytes long.
 Data: <&#200;qu5            > C8 71 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B35756B10, 16 bytes long.
 Data: <&#160;qu5            > A0 71 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B35755E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020B35756980, 16 bytes long.
 Data: <&#248;&#180;s5            > F8 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B35751550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020B35756AC0, 16 bytes long.
 Data: <&#208;&#180;s5            > D0 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B35756BB0, 16 bytes long.
 Data: <&#168;&#180;s5            > A8 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B35756930, 16 bytes long.
 Data: < &#180;s5            > 80 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B35756110, 16 bytes long.
 Data: <X&#180;s5            > 58 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B35756340, 16 bytes long.
 Data: <0&#180;s5            > 30 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B35756430, 16 bytes long.
 Data: < &#180;s5            > 08 B4 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B357517F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020B357563E0, 16 bytes long.
 Data: <&#224;&#179;s5            > E0 B3 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B3573B3E0, 320 bytes long.
 Data: <&#224;cu5    &#240; u5    > E0 63 75 35 0B 02 00 00 F0 17 75 35 0B 02 00 00 
{275} normal block at 0x0000020B35756E80, 16 bytes long.
 Data: < qu5            > 80 71 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B35756DE0, 16 bytes long.
 Data: <Xqu5            > 58 71 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B35751FD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020B357560C0, 16 bytes long.
 Data: <0qu5            > 30 71 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B35751F70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020B35756D40, 16 bytes long.
 Data: <xpu5            > 78 70 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B35756ED0, 16 bytes long.
 Data: <Ppu5            > 50 70 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B357566B0, 16 bytes long.
 Data: <(pu5            > 28 70 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B35756A20, 16 bytes long.
 Data: < pu5            > 00 70 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B35756E30, 16 bytes long.
 Data: <&#216;ou5            > D8 6F 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B357568E0, 16 bytes long.
 Data: <&#176;ou5            > B0 6F 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B357569D0, 16 bytes long.
 Data: <&#176;\u5            > B0 5C 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B35755CB0, 40 bytes long.
 Data: <&#208;iu5    &#176;IB7    > D0 69 75 35 0B 02 00 00 B0 49 42 37 0B 02 00 00 
{261} normal block at 0x0000020B35756B60, 16 bytes long.
 Data: < ou5            > 90 6F 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B35756890, 16 bytes long.
 Data: <hou5            > 68 6F 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B357516D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020B357562F0, 16 bytes long.
 Data: <@ou5            > 40 6F 75 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B35756F40, 992 bytes long.
 Data: <&#240;bu5    &#208; u5    > F0 62 75 35 0B 02 00 00 D0 16 75 35 0B 02 00 00 
{93} normal block at 0x0000020B35751DF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020B35750AF0, 16 bytes long.
 Data: <&#192;&#210;s5            > C0 D2 73 35 0B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020B3573D2C0, 40 bytes long.
 Data: <&#240; u5    &#240; u5    > F0 0A 75 35 0B 02 00 00 F0 1D 75 35 0B 02 00 00 
{70} normal block at 0x0000020B357512C0, 16 bytes long.
 Data: < &#234;&#140;&#251;&#247;           > 80 EA 8C FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B35750550, 16 bytes long.
 Data: <@&#233;&#140;&#251;&#247;           > 40 E9 8C FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B35750A50, 16 bytes long.
 Data: <&#248;W&#137;&#251;&#247;           > F8 57 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B35751040, 16 bytes long.
 Data: <&#216;W&#137;&#251;&#247;           > D8 57 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B35750500, 16 bytes long.
 Data: <P &#137;&#251;&#247;           > 50 04 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B35750B90, 16 bytes long.
 Data: <0 &#137;&#251;&#247;           > 30 04 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B35750B40, 16 bytes long.
 Data: <&#224; &#137;&#251;&#247;           > E0 02 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B35751180, 16 bytes long.
 Data: <  &#137;&#251;&#247;           > 10 04 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B357505A0, 16 bytes long.
 Data: <p &#137;&#251;&#247;           > 70 04 89 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B35750960, 16 bytes long.
 Data: < &#192;&#135;&#251;&#247;           > 18 C0 87 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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