Task 38667186

Name test_974-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND8588_1
Workunit 31609833
Created 25 Oct 2026, 6:42:39 UTC
Sent 25 Oct 2026, 6:43:42 UTC
Report deadline 30 Oct 2026, 6:43:42 UTC
Received 25 Oct 2026, 12:33:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 27 min 44 sec
CPU time 25 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.93 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:05:56 (43668): wrapper (7.9.26016): starting
21:05:56 (43668): 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
21:05:57 (43668): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:05:57 (43668): 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\10\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\10\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
21:33:03 (43668): C:/Windows/system32/cmd.exe exited; CPU time 1558.718750
21:33:03 (43668): 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: 36422329 bytes.
Dumping objects ->
{3835380} normal block at 0x000001E863991CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000001E8639916F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000001E8639924F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000001E863991E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000001E863991680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000001E8638BA7D0, 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) : {3835292} normal block at 0x000001E85FFDD280, 8 bytes long.
 Data: <  &#181;a    > 00 00 B5 61 E8 01 00 00 
{3834077} normal block at 0x000001E85FFDDAF0, 8 bytes long.
 Data: < , c    > E0 2C 96 63 E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001E85FFCECB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001E85FFC73C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001E85FFDE040, 16 bytes long.
 Data: <8&#209; _            > 38 D1 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E85FFDD550, 16 bytes long.
 Data: < &#209; _            > 10 D1 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E85FFD6020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001E85FFDD7D0, 16 bytes long.
 Data: < &#208; _            > E8 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E85FFDE130, 16 bytes long.
 Data: <&#192;&#208; _            > C0 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E85FFD92C0, 16 bytes long.
 Data: < &#208; _            > 98 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E85FFD9F90, 16 bytes long.
 Data: <p&#208; _            > 70 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E85FFD7B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001E85FFD94F0, 16 bytes long.
 Data: < w _            > 88 77 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E85FFD64A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001E85FFD9310, 16 bytes long.
 Data: <`w _            > 60 77 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E85FFD9F40, 16 bytes long.
 Data: <8w _            > 38 77 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E85FFD9E50, 16 bytes long.
 Data: < w _            > 10 77 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E85FFD9630, 16 bytes long.
 Data: < v _            > E8 76 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E85FFD94A0, 16 bytes long.
 Data: <&#192;v _            > C0 76 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E85FFD93B0, 16 bytes long.
 Data: < v _            > 98 76 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E85FFD5A80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001E85FFD9270, 16 bytes long.
 Data: <pv _            > 70 76 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E85FFD7670, 320 bytes long.
 Data: <p  _     Z _    > 70 92 FD 5F E8 01 00 00 80 5A FD 5F E8 01 00 00 
{281} normal block at 0x000001E85FFDA120, 16 bytes long.
 Data: <P&#208; _            > 50 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E85FFD9DB0, 16 bytes long.
 Data: <(&#208; _            > 28 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E85FFD59C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001E85FFD95E0, 16 bytes long.
 Data: < &#208; _            > 00 D0 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E85FFD5EA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001E85FFD9C70, 16 bytes long.
 Data: <H&#207; _            > 48 CF FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E85FFD9C20, 16 bytes long.
 Data: < &#207; _            > 20 CF FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E85FFDA030, 16 bytes long.
 Data: < &#206; _            > F8 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E85FFD9B80, 16 bytes long.
 Data: <&#208;&#206; _            > D0 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E85FFDA0D0, 16 bytes long.
 Data: <&#168;&#206; _            > A8 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E85FFD9B30, 16 bytes long.
 Data: < &#206; _            > 80 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E85FFDA1C0, 16 bytes long.
 Data: < { _            > E0 7B FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E85FFD7BE0, 40 bytes long.
 Data: <&#192;&#161; _    &#208;&#167; c    > C0 A1 FD 5F E8 01 00 00 D0 A7 8B 63 E8 01 00 00 
{267} normal block at 0x000001E85FFD9860, 16 bytes long.
 Data: <`&#206; _            > 60 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E85FFD9810, 16 bytes long.
 Data: <8&#206; _            > 38 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E85FFD62C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001E85FFD9D10, 16 bytes long.
 Data: < &#206; _            > 10 CE FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E85FFDCE10, 992 bytes long.
 Data: <   _    &#192;b _    > 10 9D FD 5F E8 01 00 00 C0 62 FD 5F E8 01 00 00 
{99} normal block at 0x000001E85FFD5720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001E85FFD9590, 16 bytes long.
 Data: <   _            > 20 81 FD 5F E8 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001E85FFD8120, 40 bytes long.
 Data: <   _     W _    > 90 95 FD 5F E8 01 00 00 20 57 FD 5F E8 01 00 00 
{74} normal block at 0x000001E85FFD9BD0, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E85FFD9540, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E85FFD9CC0, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E85FFD9360, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E85FFDA080, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E85FFD9950, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E85FFCB920, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E85FFCB8D0, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E85FFCB880, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E85FFCB830, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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