Task 38677495

Name test_544-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2259_0
Workunit 31619365
Created 26 Oct 2026, 14:31:30 UTC
Sent 26 Oct 2026, 14:31:35 UTC
Report deadline 31 Oct 2026, 14:31:35 UTC
Received 26 Oct 2026, 15:31:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min 16 sec
CPU time 42 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.02 MB
Peak swap size 3.07 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:41:19 (4148): wrapper (7.9.26016): starting
16:41:19 (4148): 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
16:41:21 (4148): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:21 (4148): 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 'D:\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 'D:\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
17:29:07 (4148): C:/Windows/system32/cmd.exe exited; CPU time 2528.000000
17:29:07 (4148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32746755 bytes.
Dumping objects ->
{3835253} normal block at 0x00000230EBEDD840, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000230EBEDD6F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000230EBEDD990, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x00000230EA38DE70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000230EA38DD90, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x00000230EBF251C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000230EBE503B0, 160 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) : {3835164} normal block at 0x00000230EA389130, 8 bytes long.
 Data: <  &#202;&#235;0   > 00 00 CA EB 30 02 00 00 
{3834552} normal block at 0x00000230EBE50F10, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000230EA389590, 8 bytes long.
 Data: <`&#226;F&#234;0   > 60 E2 46 EA 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000230EA393BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000230EA37DA40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000230EA395960, 16 bytes long.
 Data: <&#248;m9&#234;0           > F8 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000230EA395910, 16 bytes long.
 Data: <&#208;m9&#234;0           > D0 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000230EA38FD90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000230EA395410, 16 bytes long.
 Data: <&#168;m9&#234;0           > A8 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000230EA395370, 16 bytes long.
 Data: < m9&#234;0           > 80 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000230EA3956E0, 16 bytes long.
 Data: <Xm9&#234;0           > 58 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000230EA395140, 16 bytes long.
 Data: <0m9&#234;0           > 30 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000230EA38E3B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000230EA3958C0, 16 bytes long.
 Data: <X&#239;8&#234;0           > 58 EF 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000230EA38F430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000230EA3952D0, 16 bytes long.
 Data: <0&#239;8&#234;0           > 30 EF 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000230EA394FB0, 16 bytes long.
 Data: < &#239;8&#234;0           > 08 EF 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000230EA395460, 16 bytes long.
 Data: <&#224;&#238;8&#234;0           > E0 EE 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000230EA3950A0, 16 bytes long.
 Data: <&#184;&#238;8&#234;0           > B8 EE 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000230EA395690, 16 bytes long.
 Data: < &#238;8&#234;0           > 90 EE 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000230EA3955A0, 16 bytes long.
 Data: <h&#238;8&#234;0           > 68 EE 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000230EA38F310, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000230EA3957D0, 16 bytes long.
 Data: <@&#238;8&#234;0           > 40 EE 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000230EA38EE40, 320 bytes long.
 Data: <&#208;W9&#234;0    &#243;8&#234;0   > D0 57 39 EA 30 02 00 00 10 F3 38 EA 30 02 00 00 
{267} normal block at 0x00000230EA394EC0, 16 bytes long.
 Data: < m9&#234;0           > 10 6D 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000230EA395050, 16 bytes long.
 Data: <&#232;l9&#234;0           > E8 6C 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000230EA38FD30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000230EA394B00, 16 bytes long.
 Data: <&#192;l9&#234;0           > C0 6C 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000230EA38FB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000230EA394DD0, 16 bytes long.
 Data: < l9&#234;0           > 08 6C 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000230EA394C40, 16 bytes long.
 Data: <&#224;k9&#234;0           > E0 6B 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000230EA395780, 16 bytes long.
 Data: <&#184;k9&#234;0           > B8 6B 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000230EA395730, 16 bytes long.
 Data: < k9&#234;0           > 90 6B 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000230EA394F60, 16 bytes long.
 Data: <hk9&#234;0           > 68 6B 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000230EA394B50, 16 bytes long.
 Data: <@k9&#234;0           > 40 6B 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000230EA394BA0, 16 bytes long.
 Data: <0&#224;8&#234;0           > 30 E0 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000230EA38E030, 40 bytes long.
 Data: <&#160;K9&#234;0   &#192;Q&#242;&#235;0   > A0 4B 39 EA 30 02 00 00 C0 51 F2 EB 30 02 00 00 
{253} normal block at 0x00000230EA395A50, 16 bytes long.
 Data: < k9&#234;0           > 20 6B 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000230EA395870, 16 bytes long.
 Data: <&#248;j9&#234;0           > F8 6A 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000230EA38F3D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000230EA394E70, 16 bytes long.
 Data: <&#208;j9&#234;0           > D0 6A 39 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000230EA396AD0, 992 bytes long.
 Data: <pN9&#234;0   &#208;&#243;8&#234;0   > 70 4E 39 EA 30 02 00 00 D0 F3 38 EA 30 02 00 00 
{85} normal block at 0x00000230EA38FC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000230EA388FA0, 16 bytes long.
 Data: <@&#227;8&#234;0           > 40 E3 38 EA 30 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000230EA38E340, 40 bytes long.
 Data: <&#160; 8&#234;0    &#252;8&#234;0   > A0 8F 38 EA 30 02 00 00 10 FC 38 EA 30 02 00 00 
{62} normal block at 0x00000230EA389770, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000230EA388E10, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000230EA388DC0, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000230EA389D10, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000230EA3896D0, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000230EA3895E0, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000230EA388F00, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000230EA3893B0, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000230EA389400, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000230EA389CC0, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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