Task 38684765

Name test_893-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4134_0
Workunit 31626270
Created 27 Oct 2026, 17:53:01 UTC
Sent 27 Oct 2026, 17:53:06 UTC
Report deadline 1 Nov 2026, 17:53:06 UTC
Received 27 Oct 2026, 18:32:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 38 min 14 sec
CPU time 38 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.24 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:54:08 (9780): wrapper (7.9.26016): starting
10:54:08 (9780): 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
10:54:09 (9780): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:54:09 (9780): 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
11:31:31 (9780): C:/Windows/system32/cmd.exe exited; CPU time 2283.515625
11:31:31 (9780): 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: 25450273 bytes.
Dumping objects ->
{3835314} normal block at 0x0000013C7B486830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000013C7B486C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x0000013C7B486590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x0000013C7B4869F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000013C7B486980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x0000013C7D226690, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000013C7D240270, 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) : {3835225} normal block at 0x0000013C7B47EAE0, 8 bytes long.
 Data: <  &#145;{<   > 00 00 91 7B 3C 01 00 00 
{3834574} normal block at 0x0000013C7D240950, 102 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 0x0000013C7B47F080, 8 bytes long.
 Data: <0&#235;U{<   > 30 EB 55 7B 3C 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000013C7B480B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013C7B46F640, 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 0x0000013C7B4878E0, 16 bytes long.
 Data: <  H{<           > 88 80 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013C7B4871B0, 16 bytes long.
 Data: <` H{<           > 60 80 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013C7B480190, 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 0x0000013C7B4877A0, 16 bytes long.
 Data: <8 H{<           > 38 80 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013C7B487CF0, 16 bytes long.
 Data: <  H{<           > 10 80 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013C7B487840, 16 bytes long.
 Data: <&#232; H{<           > E8 7F 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013C7B487160, 16 bytes long.
 Data: <&#192; H{<           > C0 7F 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013C7B4866E0, 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 0x0000013C7B487390, 16 bytes long.
 Data: <&#200;&#181;F{<           > C8 B5 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013C7B47FCB0, 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 0x0000013C7B487340, 16 bytes long.
 Data: <&#160;&#181;F{<           > A0 B5 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013C7B487CA0, 16 bytes long.
 Data: <x&#181;F{<           > 78 B5 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013C7B486FD0, 16 bytes long.
 Data: <P&#181;F{<           > 50 B5 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013C7B4872F0, 16 bytes long.
 Data: <(&#181;F{<           > 28 B5 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013C7B487C00, 16 bytes long.
 Data: < &#181;F{<           > 00 B5 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013C7B487480, 16 bytes long.
 Data: <&#216;&#180;F{<           > D8 B4 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013C7B480430, 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 0x0000013C7B4877F0, 16 bytes long.
 Data: <&#176;&#180;F{<           > B0 B4 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013C7B46B4B0, 320 bytes long.
 Data: <&#240;wH{<   0 H{<   > F0 77 48 7B 3C 01 00 00 30 04 48 7B 3C 01 00 00 
{274} normal block at 0x0000013C7B487B10, 16 bytes long.
 Data: <&#160; H{<           > A0 7F 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013C7B4870C0, 16 bytes long.
 Data: <x H{<           > 78 7F 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013C7B480310, 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 0x0000013C7B4872A0, 16 bytes long.
 Data: <P H{<           > 50 7F 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013C7B47F890, 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 0x0000013C7B486EE0, 16 bytes long.
 Data: < ~H{<           > 98 7E 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013C7B487A20, 16 bytes long.
 Data: <p~H{<           > 70 7E 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013C7B487890, 16 bytes long.
 Data: <H~H{<           > 48 7E 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013C7B4879D0, 16 bytes long.
 Data: < ~H{<           > 20 7E 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013C7B487570, 16 bytes long.
 Data: <&#248;}H{<           > F8 7D 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013C7B487AC0, 16 bytes long.
 Data: <&#208;}H{<           > D0 7D 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013C7B487A70, 16 bytes long.
 Data: <pfH{<           > 70 66 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013C7B486670, 40 bytes long.
 Data: <pzH{<    f"}<   > 70 7A 48 7B 3C 01 00 00 90 66 22 7D 3C 01 00 00 
{260} normal block at 0x0000013C7B487750, 16 bytes long.
 Data: <&#176;}H{<           > B0 7D 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013C7B486E90, 16 bytes long.
 Data: < }H{<           > 88 7D 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013C7B47FD70, 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 0x0000013C7B487070, 16 bytes long.
 Data: <`}H{<           > 60 7D 48 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000013C7B487D60, 992 bytes long.
 Data: <ppH{<   p&#253;G{<   > 70 70 48 7B 3C 01 00 00 70 FD 47 7B 3C 01 00 00 
{92} normal block at 0x0000013C7B47F7D0, 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 0x0000013C7B47F530, 16 bytes long.
 Data: <&#240;&#254;F{<           > F0 FE 46 7B 3C 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000013C7B46FEF0, 40 bytes long.
 Data: <0&#245;G{<   &#208;&#247;G{<   > 30 F5 47 7B 3C 01 00 00 D0 F7 47 7B 3C 01 00 00 
{69} normal block at 0x0000013C7B47F170, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013C7B47F210, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013C7B47EFE0, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013C7B47ED10, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013C7B47F030, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013C7B47E810, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013C7B47F4E0, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013C7B47E9A0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013C7B47EF90, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013C7B47F2B0, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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