Task 38666335

Name test_537-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8487_0
Workunit 31609293
Created 25 Oct 2026, 2:49:04 UTC
Sent 25 Oct 2026, 6:21:50 UTC
Report deadline 30 Oct 2026, 6:21:50 UTC
Received 25 Oct 2026, 10:13:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630147
Run time 1 hours 14 min 38 sec
CPU time 1 hours 10 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.32 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:59:26 (7852): wrapper (7.9.26016): starting
17:59:26 (7852): 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
17:59:28 (7852): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:59:28 (7852): 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\1\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\1\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
19:13:18 (7852): C:/Windows/system32/cmd.exe exited; CPU time 4253.187500
19:13:18 (7852): 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: 64630223 bytes.
Dumping objects ->
{3835659} normal block at 0x0000024EB526CB90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835648} normal block at 0x0000024EB526C500, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835637} normal block at 0x0000024EB3314870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835626} normal block at 0x0000024EB3314C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835615} normal block at 0x0000024EB3314800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835584} normal block at 0x0000024EB52B9180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835573} normal block at 0x0000024EB52CE160, 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) : {3835570} normal block at 0x0000024EB330EE50, 8 bytes long.
 Data: <  .&#179;N   > 00 00 2E B3 4E 02 00 00 
{3834789} normal block at 0x0000024EB52CE580, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000024EB330ED10, 8 bytes long.
 Data: <&#176;A1&#181;N   > B0 41 31 B5 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024EB3311550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024EB3305F80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024EB3315A50, 16 bytes long.
 Data: < h1&#179;N           > 88 68 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024EB3315F50, 16 bytes long.
 Data: <`h1&#179;N           > 60 68 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024EB33101A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024EB3315870, 16 bytes long.
 Data: <8h1&#179;N           > 38 68 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024EB3315F00, 16 bytes long.
 Data: < h1&#179;N           > 10 68 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024EB3315820, 16 bytes long.
 Data: < g1&#179;N           > E8 67 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024EB33164A0, 16 bytes long.
 Data: <&#192;g1&#179;N           > C0 67 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024EB3314DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024EB3315B90, 16 bytes long.
 Data: <&#216;&#181;/&#179;N           > D8 B5 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024EB330F840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024EB3315EB0, 16 bytes long.
 Data: <&#176;&#181;/&#179;N           > B0 B5 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024EB3315730, 16 bytes long.
 Data: < &#181;/&#179;N           > 88 B5 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024EB3315640, 16 bytes long.
 Data: <`&#181;/&#179;N           > 60 B5 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024EB33155F0, 16 bytes long.
 Data: <8&#181;/&#179;N           > 38 B5 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024EB3316450, 16 bytes long.
 Data: < &#181;/&#179;N           > 10 B5 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024EB3315A00, 16 bytes long.
 Data: < &#180;/&#179;N           > E8 B4 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024EB3310680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024EB3315BE0, 16 bytes long.
 Data: <&#192;&#180;/&#179;N           > C0 B4 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024EB32FB4C0, 320 bytes long.
 Data: < [1&#179;N     1&#179;N   > E0 5B 31 B3 4E 02 00 00 80 06 31 B3 4E 02 00 00 
{277} normal block at 0x0000024EB33156E0, 16 bytes long.
 Data: < g1&#179;N           > A0 67 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024EB33157D0, 16 bytes long.
 Data: <xg1&#179;N           > 78 67 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024EB3310440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024EB3315FA0, 16 bytes long.
 Data: <Pg1&#179;N           > 50 67 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024EB33103E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024EB3316040, 16 bytes long.
 Data: < f1&#179;N           > 98 66 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024EB33155A0, 16 bytes long.
 Data: <pf1&#179;N           > 70 66 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024EB3315B40, 16 bytes long.
 Data: <Hf1&#179;N           > 48 66 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024EB3315780, 16 bytes long.
 Data: < f1&#179;N           > 20 66 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024EB3315690, 16 bytes long.
 Data: < e1&#179;N           > F8 65 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024EB3315AF0, 16 bytes long.
 Data: <&#208;e1&#179;N           > D0 65 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024EB33164F0, 16 bytes long.
 Data: <PI1&#179;N           > 50 49 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024EB3314950, 40 bytes long.
 Data: < d1&#179;N     +&#181;N   > F0 64 31 B3 4E 02 00 00 80 91 2B B5 4E 02 00 00 
{263} normal block at 0x0000024EB3316360, 16 bytes long.
 Data: <&#176;e1&#179;N           > B0 65 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024EB33161D0, 16 bytes long.
 Data: < e1&#179;N           > 88 65 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024EB330F7E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024EB33158C0, 16 bytes long.
 Data: <`e1&#179;N           > 60 65 31 B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024EB3316560, 992 bytes long.
 Data: <&#192;X1&#179;N     0&#179;N   > C0 58 31 B3 4E 02 00 00 E0 F7 30 B3 4E 02 00 00 
{95} normal block at 0x0000024EB33100E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024EB330E810, 16 bytes long.
 Data: <  /&#179;N           > 10 EF 2F B3 4E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024EB32FEF10, 40 bytes long.
 Data: <  0&#179;N     1&#179;N   > 10 E8 30 B3 4E 02 00 00 E0 00 31 B3 4E 02 00 00 
{70} normal block at 0x0000024EB330EDB0, 16 bytes long.
 Data: <  yb            > 80 EA 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024EB330F1C0, 16 bytes long.
 Data: <@ yb            > 40 E9 79 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024EB330ED60, 16 bytes long.
 Data: < Wvb            > F8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024EB330EE00, 16 bytes long.
 Data: <&#216;Wvb            > D8 57 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024EB330F670, 16 bytes long.
 Data: <P vb            > 50 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024EB330F030, 16 bytes long.
 Data: <0 vb            > 30 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024EB330ECC0, 16 bytes long.
 Data: <  vb            > E0 02 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024EB330F580, 16 bytes long.
 Data: <  vb            > 10 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024EB330E9F0, 16 bytes long.
 Data: <p vb            > 70 04 76 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024EB330E7C0, 16 bytes long.
 Data: < &#192;tb            > 18 C0 74 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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