Task 38648233

Name test_68-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND9667_0
Workunit 31592942
Created 23 Oct 2026, 20:35:00 UTC
Sent 23 Oct 2026, 22:57:15 UTC
Report deadline 28 Oct 2026, 22:57:15 UTC
Received 24 Oct 2026, 0:24:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 25 min 47 sec
CPU time 25 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.04 MB
Peak swap size 6.85 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:59:20 (8208): wrapper (7.9.26016): starting
02:59:20 (8208): 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
02:59:21 (8208): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:59:21 (8208): 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
03:24:29 (8208): C:/Windows/system32/cmd.exe exited; CPU time 1501.640625
03:24:29 (8208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 20209063 bytes.
Dumping objects ->
{3835550} normal block at 0x0000018E3369C420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000018E31914AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x0000018E31914A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x0000018E31914A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x0000018E31914920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x0000018E336E8080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000018E337451F0, 155 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) : {3835461} normal block at 0x0000018E3190EED0, 8 bytes long.
 Data: <  &#231;1&#142;   > 00 00 E7 31 8E 01 00 00 
{3834689} normal block at 0x0000018E337458F0, 155 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 0x0000018E3190ECF0, 8 bytes long.
 Data: <`:t3&#142;   > 60 3A 74 33 8E 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018E31910E50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018E31905BF0, 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 0x0000018E31915AB0, 16 bytes long.
 Data: <Hc&#145;1&#142;           > 48 63 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018E319157E0, 16 bytes long.
 Data: < c&#145;1&#142;           > 20 63 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018E3190FCE0, 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 0x0000018E31915C90, 16 bytes long.
 Data: <&#248;b&#145;1&#142;           > F8 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018E31915740, 16 bytes long.
 Data: <&#208;b&#145;1&#142;           > D0 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018E31915970, 16 bytes long.
 Data: <&#168;b&#145;1&#142;           > A8 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018E31915F60, 16 bytes long.
 Data: <&#128;b&#145;1&#142;           > 80 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018E31914B50, 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 0x0000018E31915FB0, 16 bytes long.
 Data: <&#248;&#140;&#144;1&#142;           > F8 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018E31910220, 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 0x0000018E319159C0, 16 bytes long.
 Data: <&#208;&#140;&#144;1&#142;           > D0 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018E31915EC0, 16 bytes long.
 Data: <&#168;&#140;&#144;1&#142;           > A8 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018E31915510, 16 bytes long.
 Data: <&#128;&#140;&#144;1&#142;           > 80 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018E31915330, 16 bytes long.
 Data: <X&#140;&#144;1&#142;           > 58 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018E31915920, 16 bytes long.
 Data: <0&#140;&#144;1&#142;           > 30 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018E319158D0, 16 bytes long.
 Data: < &#140;&#144;1&#142;           > 08 8C 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018E31910280, 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 0x0000018E319156F0, 16 bytes long.
 Data: <&#224;&#139;&#144;1&#142;           > E0 8B 90 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018E31908BE0, 320 bytes long.
 Data: <&#240;V&#145;1&#142;   &#128; &#145;1&#142;   > F0 56 91 31 8E 01 00 00 80 02 91 31 8E 01 00 00 
{274} normal block at 0x0000018E31915BF0, 16 bytes long.
 Data: <`b&#145;1&#142;           > 60 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018E31915830, 16 bytes long.
 Data: <8b&#145;1&#142;           > 38 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018E3190F560, 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 0x0000018E31915240, 16 bytes long.
 Data: < b&#145;1&#142;           > 10 62 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018E3190F4A0, 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 0x0000018E31915290, 16 bytes long.
 Data: <Xa&#145;1&#142;           > 58 61 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018E319156A0, 16 bytes long.
 Data: <0a&#145;1&#142;           > 30 61 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018E31915A60, 16 bytes long.
 Data: < a&#145;1&#142;           > 08 61 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018E31915D80, 16 bytes long.
 Data: <&#224;`&#145;1&#142;           > E0 60 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018E31915E70, 16 bytes long.
 Data: <&#184;`&#145;1&#142;           > B8 60 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018E31915F10, 16 bytes long.
 Data: <&#144;`&#145;1&#142;           > 90 60 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018E319152E0, 16 bytes long.
 Data: <PD&#145;1&#142;           > 50 44 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018E31914450, 40 bytes long.
 Data: <&#224;R&#145;1&#142;   &#128;&#128;n3&#142;   > E0 52 91 31 8E 01 00 00 80 80 6E 33 8E 01 00 00 
{260} normal block at 0x0000018E319150B0, 16 bytes long.
 Data: <p`&#145;1&#142;           > 70 60 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018E31915C40, 16 bytes long.
 Data: <H`&#145;1&#142;           > 48 60 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018E3190FE60, 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 0x0000018E319153D0, 16 bytes long.
 Data: < `&#145;1&#142;           > 20 60 91 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018E31916020, 992 bytes long.
 Data: <&#208;S&#145;1&#142;   `&#254;&#144;1&#142;   > D0 53 91 31 8E 01 00 00 60 FE 90 31 8E 01 00 00 
{92} normal block at 0x0000018E3190FC80, 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 0x0000018E3190F1F0, 16 bytes long.
 Data: <&#192;&#209;&#143;1&#142;           > C0 D1 8F 31 8E 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018E318FD1C0, 40 bytes long.
 Data: <&#240;&#241;&#144;1&#142;   &#128;&#252;&#144;1&#142;   > F0 F1 90 31 8E 01 00 00 80 FC 90 31 8E 01 00 00 
{69} normal block at 0x0000018E3190EC50, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018E3190EE80, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018E3190E9D0, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018E3190EA20, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018E3190E700, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018E3190E6B0, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018E3190EBB0, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018E3190EA70, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018E3190EC00, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018E3190F290, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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