Task 38676004

Name test_519-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3095_1
Workunit 31617913
Created 26 Oct 2026, 9:58:05 UTC
Sent 26 Oct 2026, 9:58:09 UTC
Report deadline 31 Oct 2026, 9:58:09 UTC
Received 26 Oct 2026, 17:13:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 57 sec
CPU time 1 hours 42 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 649.45 MB
Peak swap size 6.72 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:26:01 (3060): wrapper (7.9.26016): starting
11:26:01 (3060): 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
11:26:04 (3060): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:26:04 (3060): 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
13:12:30 (3060): C:/Windows/system32/cmd.exe exited; CPU time 6139.171875
13:12:30 (3060): 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: 76718943 bytes.
Dumping objects ->
{3835209} normal block at 0x0000018B772062A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000018B77206AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000018B77206D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x0000018B77206620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000018B772068C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x0000018B78D9BEC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x0000018B78DFE110, 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) : {3835120} normal block at 0x0000018B771D5760, 8 bytes long.
 Data: <   w&#139;   > 00 00 19 77 8B 01 00 00 
{3834523} normal block at 0x0000018B78DFDFB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000018B771D5D00, 8 bytes long.
 Data: < w&#223;x&#139;   > 00 77 DF 78 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000018B771E1C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018B771C5C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000018B771E3880, 16 bytes long.
 Data: <X= w&#139;           > 58 3D 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018B771E3100, 16 bytes long.
 Data: <0= w&#139;           > 30 3D 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018B771DBA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000018B771E31F0, 16 bytes long.
 Data: < = w&#139;           > 08 3D 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018B771E30B0, 16 bytes long.
 Data: <&#224;< w&#139;           > E0 3C 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018B771E3060, 16 bytes long.
 Data: <&#184;< w&#139;           > B8 3C 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018B771E2F20, 16 bytes long.
 Data: < < w&#139;           > 90 3C 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018B771DA020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000018B771E3290, 16 bytes long.
 Data: <X&#178; w&#139;           > 58 B2 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018B771DB9C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000018B771E2ED0, 16 bytes long.
 Data: <0&#178; w&#139;           > 30 B2 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018B771E3240, 16 bytes long.
 Data: < &#178; w&#139;           > 08 B2 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018B771E2DE0, 16 bytes long.
 Data: <&#224;&#177; w&#139;           > E0 B1 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018B771E3600, 16 bytes long.
 Data: <&#184;&#177; w&#139;           > B8 B1 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018B771E3010, 16 bytes long.
 Data: < &#177; w&#139;           > 90 B1 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018B771E2E80, 16 bytes long.
 Data: <h&#177; w&#139;           > 68 B1 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018B771DB780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000018B771E2D90, 16 bytes long.
 Data: <@&#177; w&#139;           > 40 B1 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018B771DB140, 320 bytes long.
 Data: < - w&#139;    &#183; w&#139;   > 90 2D 1E 77 8B 01 00 00 80 B7 1D 77 8B 01 00 00 
{268} normal block at 0x0000018B771E3560, 16 bytes long.
 Data: <p< w&#139;           > 70 3C 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018B771E2D40, 16 bytes long.
 Data: <H< w&#139;           > 48 3C 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018B771DB600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000018B771E3510, 16 bytes long.
 Data: < < w&#139;           > 20 3C 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018B771DBE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000018B771E2CF0, 16 bytes long.
 Data: <h; w&#139;           > 68 3B 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018B771E2B60, 16 bytes long.
 Data: <@; w&#139;           > 40 3B 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018B771E3830, 16 bytes long.
 Data: < ; w&#139;           > 18 3B 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018B771E2C50, 16 bytes long.
 Data: <&#240;: w&#139;           > F0 3A 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018B771E3420, 16 bytes long.
 Data: <&#200;: w&#139;           > C8 3A 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018B771E2E30, 16 bytes long.
 Data: <&#160;: w&#139;           > A0 3A 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018B771E2C00, 16 bytes long.
 Data: < &#167; w&#139;           > 20 A7 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018B771DA720, 40 bytes long.
 Data: < , w&#139;   &#192;&#190;&#217;x&#139;   > 00 2C 1E 77 8B 01 00 00 C0 BE D9 78 8B 01 00 00 
{254} normal block at 0x0000018B771E2F70, 16 bytes long.
 Data: < : w&#139;           > 80 3A 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018B771E34C0, 16 bytes long.
 Data: <X: w&#139;           > 58 3A 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000018B771DBC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000018B771E37E0, 16 bytes long.
 Data: <0: w&#139;           > 30 3A 1E 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000018B771E3A30, 992 bytes long.
 Data: <&#224;7 w&#139;   `&#188; w&#139;   > E0 37 1E 77 8B 01 00 00 60 BC 1D 77 8B 01 00 00 
{86} normal block at 0x0000018B771DB840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000018B771D5BC0, 16 bytes long.
 Data: < &#164; w&#139;           > 10 A4 1D 77 8B 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000018B771DA410, 40 bytes long.
 Data: <&#192;[ w&#139;   @&#184; w&#139;   > C0 5B 1D 77 8B 01 00 00 40 B8 1D 77 8B 01 00 00 
{63} normal block at 0x0000018B771D5B70, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018B771D5EE0, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018B771D56C0, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018B771D59E0, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018B771D5A30, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018B771D5DF0, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018B771D5E90, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018B771D5DA0, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018B771D60C0, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000018B771D6200, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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