Task 38667200

Name test_239-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND1424_1
Workunit 31609831
Created 25 Oct 2026, 6:50:15 UTC
Sent 25 Oct 2026, 6:50:16 UTC
Report deadline 30 Oct 2026, 6:50:16 UTC
Received 25 Oct 2026, 7:34:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644627
Run time 28 min 58 sec
CPU time 25 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.58 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:05:59 (11092): wrapper (7.9.26016): starting
03:05:59 (11092): 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
03:06:00 (11092): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:06:00 (11092): 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
03:33:36 (11092): C:/Windows/system32/cmd.exe exited; CPU time 1550.828125
03:33:36 (11092): 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: 31365789 bytes.
Dumping objects ->
{3835428} normal block at 0x0000023C6BE86A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x0000023C6A082D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x0000023C6A082DE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835395} normal block at 0x0000023C6A082D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x0000023C6A082FA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835353} normal block at 0x0000023C6BE2AE20, 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) : {3835340} normal block at 0x0000023C6A07DF90, 8 bytes long.
 Data: <   j<   > 00 00 03 6A 3C 02 00 00 
{3833959} normal block at 0x0000023C6A07E3A0, 8 bytes long.
 Data: < +&#237;k<   > 10 2B ED 6B 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023C6A07EEB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023C6A0762E0, 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 0x0000023C6A0840E0, 16 bytes long.
 Data: <x7 j<           > 78 37 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023C6A083C80, 16 bytes long.
 Data: <P7 j<           > 50 37 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023C6A07D7D0, 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 0x0000023C6A084540, 16 bytes long.
 Data: <(7 j<           > 28 37 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023C6A083CD0, 16 bytes long.
 Data: < 7 j<           > 00 37 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C6A084810, 16 bytes long.
 Data: <&#216;6 j<           > D8 36 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023C6A083EB0, 16 bytes long.
 Data: <&#176;6 j<           > B0 36 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023C6A082E50, 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 0x0000023C6A083AF0, 16 bytes long.
 Data: < &#244; j<           > 98 F4 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023C6A07DBF0, 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 0x0000023C6A083E60, 16 bytes long.
 Data: <p&#244; j<           > 70 F4 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023C6A083FF0, 16 bytes long.
 Data: <H&#244; j<           > 48 F4 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023C6A084400, 16 bytes long.
 Data: < &#244; j<           > 20 F4 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023C6A083960, 16 bytes long.
 Data: <&#248;&#243; j<           > F8 F3 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023C6A083D70, 16 bytes long.
 Data: <&#208;&#243; j<           > D0 F3 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023C6A084310, 16 bytes long.
 Data: <&#168;&#243; j<           > A8 F3 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023C6A07D1D0, 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 0x0000023C6A0842C0, 16 bytes long.
 Data: < &#243; j<           > 80 F3 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023C6A06F380, 320 bytes long.
 Data: <&#192;B j<   &#208;&#209; j<   > C0 42 08 6A 3C 02 00 00 D0 D1 07 6A 3C 02 00 00 
{275} normal block at 0x0000023C6A084680, 16 bytes long.
 Data: < 6 j<           > 90 36 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023C6A083D20, 16 bytes long.
 Data: <h6 j<           > 68 36 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023C6A07D170, 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 0x0000023C6A083F00, 16 bytes long.
 Data: <@6 j<           > 40 36 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023C6A07DC50, 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 0x0000023C6A083FA0, 16 bytes long.
 Data: < 5 j<           > 88 35 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023C6A084360, 16 bytes long.
 Data: <`5 j<           > 60 35 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023C6A084590, 16 bytes long.
 Data: <85 j<           > 38 35 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023C6A083BE0, 16 bytes long.
 Data: < 5 j<           > 10 35 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023C6A084270, 16 bytes long.
 Data: <&#232;4 j<           > E8 34 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023C6A07E6C0, 16 bytes long.
 Data: <&#192;4 j<           > C0 34 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023C6A07E260, 16 bytes long.
 Data: < 3 j<           > 20 33 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023C6A083320, 40 bytes long.
 Data: <`&#226; j<    &#174;&#226;k<   > 60 E2 07 6A 3C 02 00 00 20 AE E2 6B 3C 02 00 00 
{261} normal block at 0x0000023C6A07E1C0, 16 bytes long.
 Data: <&#160;4 j<           > A0 34 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023C6A07E120, 16 bytes long.
 Data: <x4 j<           > 78 34 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023C6A07CFF0, 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 0x0000023C6A07E030, 16 bytes long.
 Data: <P4 j<           > 50 34 08 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023C6A083450, 992 bytes long.
 Data: <0&#224; j<   &#240;&#207; j<   > 30 E0 07 6A 3C 02 00 00 F0 CF 07 6A 3C 02 00 00 
{93} normal block at 0x0000023C6A07DB90, 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 0x0000023C6A07E8A0, 16 bytes long.
 Data: < &#240; j<           > 80 F0 06 6A 3C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000023C6A06F080, 40 bytes long.
 Data: <&#160;&#232; j<    &#219; j<   > A0 E8 07 6A 3C 02 00 00 90 DB 07 6A 3C 02 00 00 
{70} normal block at 0x0000023C6A07E940, 16 bytes long.
 Data: < &#234;&#249; &#246;           > 80 EA F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023C6A07E800, 16 bytes long.
 Data: <@&#233;&#249; &#246;           > 40 E9 F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023C6A07E9E0, 16 bytes long.
 Data: <&#248;W&#246; &#246;           > F8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023C6A07DD60, 16 bytes long.
 Data: <&#216;W&#246; &#246;           > D8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023C6A07E0D0, 16 bytes long.
 Data: <P &#246; &#246;           > 50 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023C6A07E2B0, 16 bytes long.
 Data: <0 &#246; &#246;           > 30 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023C6A07DE50, 16 bytes long.
 Data: <&#224; &#246; &#246;           > E0 02 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023C6A07E300, 16 bytes long.
 Data: <  &#246; &#246;           > 10 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023C6A07E4E0, 16 bytes long.
 Data: <p &#246; &#246;           > 70 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023C6A07EAD0, 16 bytes long.
 Data: < &#192;&#244; &#246;           > 18 C0 F4 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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