Task 38661913

Name test_416-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8019_0
Workunit 31605283
Created 24 Oct 2026, 16:30:38 UTC
Sent 24 Oct 2026, 16:42:02 UTC
Report deadline 29 Oct 2026, 16:42:02 UTC
Received 26 Oct 2026, 10:47:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 17 min 23 sec
CPU time 15 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.66 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:42:53 (27008): wrapper (7.9.26016): starting
18:42:53 (27008): 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
18:42:54 (27008): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:54 (27008): 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\0\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\0\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
18:59:35 (27008): C:/Windows/system32/cmd.exe exited; CPU time 958.187500
18:59:35 (27008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 18256565 bytes.
Dumping objects ->
{3835229} normal block at 0x00000248ED5F5380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000248ED5F5310, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000248ED5F5230, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x00000248ED5F5700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000248ED5F5770, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x00000248EF2CC1F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x00000248ED618DF0, 102 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) : {3835140} normal block at 0x00000248ED5EE4B0, 8 bytes long.
 Data: <  W&#237;H   > 00 00 57 ED 48 02 00 00 
{3834544} normal block at 0x00000248ED619420, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000248ED5EDEC0, 8 bytes long.
 Data: <&#208;&#232;l&#237;H   > D0 E8 6C ED 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000248ED5EFD50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000248ED5E71D0, 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 0x00000248ED5F4030, 16 bytes long.
 Data: < O_&#237;H           > 98 4F 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000248ED5F3D10, 16 bytes long.
 Data: <pO_&#237;H           > 70 4F 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000248ED5EF5E0, 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 0x00000248ED5F3FE0, 16 bytes long.
 Data: <HO_&#237;H           > 48 4F 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000248ED5F4490, 16 bytes long.
 Data: < O_&#237;H           > 20 4F 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000248ED5F3900, 16 bytes long.
 Data: <&#248;N_&#237;H           > F8 4E 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000248ED5F3950, 16 bytes long.
 Data: <&#208;N_&#237;H           > D0 4E 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000248ED5F55B0, 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 0x00000248ED5F3A40, 16 bytes long.
 Data: <x&#234;]&#237;H           > 78 EA 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000248ED5EF580, 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 0x00000248ED5F43F0, 16 bytes long.
 Data: <P&#234;]&#237;H           > 50 EA 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000248ED5F3F90, 16 bytes long.
 Data: <(&#234;]&#237;H           > 28 EA 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000248ED5F3DB0, 16 bytes long.
 Data: < &#234;]&#237;H           > 00 EA 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000248ED5F4620, 16 bytes long.
 Data: <&#216;&#233;]&#237;H           > D8 E9 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000248ED5F3F40, 16 bytes long.
 Data: <&#176;&#233;]&#237;H           > B0 E9 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000248ED5F4120, 16 bytes long.
 Data: < &#233;]&#237;H           > 88 E9 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000248ED5EF520, 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 0x00000248ED5F3EF0, 16 bytes long.
 Data: <`&#233;]&#237;H           > 60 E9 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000248ED5DE960, 320 bytes long.
 Data: <&#240;>_&#237;H    &#245;^&#237;H   > F0 3E 5F ED 48 02 00 00 20 F5 5E ED 48 02 00 00 
{275} normal block at 0x00000248ED5F4440, 16 bytes long.
 Data: <&#176;N_&#237;H           > B0 4E 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000248ED5F3BD0, 16 bytes long.
 Data: < N_&#237;H           > 88 4E 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000248ED5EEC80, 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 0x00000248ED5F3EA0, 16 bytes long.
 Data: <`N_&#237;H           > 60 4E 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000248ED5EEE60, 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 0x00000248ED5F4080, 16 bytes long.
 Data: <&#168;M_&#237;H           > A8 4D 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000248ED5F4260, 16 bytes long.
 Data: < M_&#237;H           > 80 4D 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000248ED5F3E00, 16 bytes long.
 Data: <XM_&#237;H           > 58 4D 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000248ED5F3CC0, 16 bytes long.
 Data: <0M_&#237;H           > 30 4D 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000248ED5F3C70, 16 bytes long.
 Data: < M_&#237;H           > 08 4D 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000248ED5F4300, 16 bytes long.
 Data: <&#224;L_&#237;H           > E0 4C 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000248ED5F42B0, 16 bytes long.
 Data: <&#224;&#193;]&#237;H           > E0 C1 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248ED5DC1E0, 40 bytes long.
 Data: <&#176;B_&#237;H   &#240;&#193;,&#239;H   > B0 42 5F ED 48 02 00 00 F0 C1 2C EF 48 02 00 00 
{261} normal block at 0x00000248ED5F4530, 16 bytes long.
 Data: <&#192;L_&#237;H           > C0 4C 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000248ED5F40D0, 16 bytes long.
 Data: < L_&#237;H           > 98 4C 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000248ED5EF040, 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 0x00000248ED5F3E50, 16 bytes long.
 Data: <pL_&#237;H           > 70 4C 5F ED 48 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000248ED5F4C70, 992 bytes long.
 Data: <P>_&#237;H   @&#240;^&#237;H   > 50 3E 5F ED 48 02 00 00 40 F0 5E ED 48 02 00 00 
{93} normal block at 0x00000248ED5EF7C0, 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 0x00000248ED5EDE70, 16 bytes long.
 Data: < &#225;]&#237;H           > 10 E1 5D ED 48 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000248ED5DE110, 40 bytes long.
 Data: <p&#222;^&#237;H   &#192;&#247;^&#237;H   > 70 DE 5E ED 48 02 00 00 C0 F7 5E ED 48 02 00 00 
{70} normal block at 0x00000248ED5EE640, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000248ED5EE000, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000248ED5EDD30, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000248ED5EDCE0, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000248ED5EE2D0, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000248ED5EE3C0, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000248ED5EDD80, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000248ED5EE280, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000248ED5EE370, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000248ED5EE230, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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