Task 38686942

Name test_5-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9486_0
Workunit 31628351
Created 28 Oct 2026, 5:10:28 UTC
Sent 28 Oct 2026, 5:10:37 UTC
Report deadline 2 Nov 2026, 5:10:37 UTC
Received 28 Oct 2026, 5:33:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 39 sec
CPU time 18 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.23 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:13:05 (28456): wrapper (7.9.26016): starting
01:13:05 (28456): 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
01:13:06 (28456): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:06 (28456): 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
01:32:55 (28456): C:/Windows/system32/cmd.exe exited; CPU time 1113.437500
01:32:55 (28456): 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: 20691433 bytes.
Dumping objects ->
{3835237} normal block at 0x0000020BC9EBD920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000020BC9EBD450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000020BC9EBD140, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x0000020BC8144C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000020BC8144C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000020BC9F04580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000020BC9F1F000, 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) : {3835148} normal block at 0x0000020BC8140990, 8 bytes long.
 Data: <  _&#200;    > 00 00 5F C8 0B 02 00 00 
{3834547} normal block at 0x0000020BC9F1E7C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000020BC8140F80, 8 bytes long.
 Data: < B&#246;&#201;    > 80 42 F6 C9 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020BC8136790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020BC8137D10, 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 0x0000020BC8146510, 16 bytes long.
 Data: <&#184;U &#200;            > B8 55 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020BC8145F70, 16 bytes long.
 Data: < U &#200;            > 90 55 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020BC813FD40, 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 0x0000020BC8145840, 16 bytes long.
 Data: <hU &#200;            > 68 55 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020BC81461F0, 16 bytes long.
 Data: <@U &#200;            > 40 55 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020BC8146290, 16 bytes long.
 Data: < U &#200;            > 18 55 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020BC8146100, 16 bytes long.
 Data: <&#240;T &#200;            > F0 54 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020BC81449E0, 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 0x0000020BC81460B0, 16 bytes long.
 Data: <&#168;&#184; &#200;            > A8 B8 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020BC8140460, 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 0x0000020BC81457F0, 16 bytes long.
 Data: < &#184; &#200;            > 80 B8 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020BC81464C0, 16 bytes long.
 Data: <X&#184; &#200;            > 58 B8 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020BC8145700, 16 bytes long.
 Data: <0&#184; &#200;            > 30 B8 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020BC81457A0, 16 bytes long.
 Data: < &#184; &#200;            > 08 B8 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020BC8146650, 16 bytes long.
 Data: <&#224;&#183; &#200;            > E0 B7 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020BC8146600, 16 bytes long.
 Data: <&#184;&#183; &#200;            > B8 B7 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020BC813FE00, 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 0x0000020BC8145F20, 16 bytes long.
 Data: < &#183; &#200;            > 90 B7 12 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020BC812B790, 320 bytes long.
 Data: < _ &#200;     &#254; &#200;    > 20 5F 14 C8 0B 02 00 00 00 FE 13 C8 0B 02 00 00 
{275} normal block at 0x0000020BC8145C00, 16 bytes long.
 Data: <&#208;T &#200;            > D0 54 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020BC81465B0, 16 bytes long.
 Data: <&#168;T &#200;            > A8 54 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020BC8140640, 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 0x0000020BC8145ED0, 16 bytes long.
 Data: < T &#200;            > 80 54 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020BC813FCE0, 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 0x0000020BC8146470, 16 bytes long.
 Data: <&#200;S &#200;            > C8 53 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020BC8145D40, 16 bytes long.
 Data: <&#160;S &#200;            > A0 53 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020BC8146060, 16 bytes long.
 Data: <xS &#200;            > 78 53 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020BC8146420, 16 bytes long.
 Data: <PS &#200;            > 50 53 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020BC81409E0, 16 bytes long.
 Data: <(S &#200;            > 28 53 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020BC81407B0, 16 bytes long.
 Data: < S &#200;            > 00 53 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020BC81415C0, 16 bytes long.
 Data: <`M &#200;            > 60 4D 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020BC8144D60, 40 bytes long.
 Data: <&#192;  &#200;     E&#240;&#201;    > C0 15 14 C8 0B 02 00 00 80 45 F0 C9 0B 02 00 00 
{261} normal block at 0x0000020BC81408F0, 16 bytes long.
 Data: <&#224;R &#200;            > E0 52 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020BC81408A0, 16 bytes long.
 Data: <&#184;R &#200;            > B8 52 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020BC8140400, 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 0x0000020BC81414D0, 16 bytes long.
 Data: < R &#200;            > 90 52 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020BC8145290, 992 bytes long.
 Data: <&#208;  &#200;       &#200;    > D0 14 14 C8 0B 02 00 00 00 04 14 C8 0B 02 00 00 
{93} normal block at 0x0000020BC81404C0, 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 0x0000020BC81411B0, 16 bytes long.
 Data: <&#240;L &#200;            > F0 4C 14 C8 0B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020BC8144CF0, 40 bytes long.
 Data: <&#176;  &#200;    &#192;  &#200;    > B0 11 14 C8 0B 02 00 00 C0 04 14 C8 0B 02 00 00 
{70} normal block at 0x0000020BC8141160, 16 bytes long.
 Data: < &#234;<M&#247;           > 80 EA 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020BC8140DA0, 16 bytes long.
 Data: <@&#233;<M&#247;           > 40 E9 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020BC8140E90, 16 bytes long.
 Data: <&#248;W9M&#247;           > F8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020BC81412F0, 16 bytes long.
 Data: <&#216;W9M&#247;           > D8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020BC8140E40, 16 bytes long.
 Data: <P 9M&#247;           > 50 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020BC8141390, 16 bytes long.
 Data: <0 9M&#247;           > 30 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020BC8140EE0, 16 bytes long.
 Data: <&#224; 9M&#247;           > E0 02 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020BC8140DF0, 16 bytes long.
 Data: <  9M&#247;           > 10 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020BC8141070, 16 bytes long.
 Data: <p 9M&#247;           > 70 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020BC8140C60, 16 bytes long.
 Data: < &#192;7M&#247;           > 18 C0 37 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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