Task 38669865
| Name | test_207-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4008_2 |
| Workunit | 31609292 |
| Created | 25 Oct 2026, 15:48:10 UTC |
| Sent | 25 Oct 2026, 15:48:22 UTC |
| Report deadline | 30 Oct 2026, 15:48:22 UTC |
| Received | 26 Oct 2026, 4:18:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 26 min 16 sec |
| CPU time | 23 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.20 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:53:14 (4168): wrapper (7.9.26016): starting
12:53:14 (4168): 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
12:53:15 (4168): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:53:15 (4168): 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\2\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\2\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
13:18:14 (4168): C:/Windows/system32/cmd.exe exited; CPU time 1430.921875
13:18:14 (4168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 28303927 bytes.
Dumping objects ->
{3835342} normal block at 0x000002B54403A8A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835331} normal block at 0x000002B544014A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x000002B544014990, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835309} normal block at 0x000002B544014920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000002B544014AE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835267} normal block at 0x000002B545FE9780, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000002B54406ACC0, 140 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) : {3835253} normal block at 0x000002B54400E970, 8 bytes long.
Data: < C > 00 00 FD 43 B5 02 00 00
{3834654} normal block at 0x000002B54406BA90, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834069} normal block at 0x000002B54400F690, 8 bytes long.
Data: < A F > B0 41 04 46 B5 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B544010EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002B544006640, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002B544015960, 16 bytes long.
Data: <Xh D > 58 68 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002B544015730, 16 bytes long.
Data: <0h D > 30 68 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002B54400FF90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002B5440156E0, 16 bytes long.
Data: < h D > 08 68 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B544015F00, 16 bytes long.
Data: < g D > E0 67 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B544015FF0, 16 bytes long.
Data: < g D > B8 67 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B5440158C0, 16 bytes long.
Data: < g D > 90 67 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B544014BC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002B5440155F0, 16 bytes long.
Data: < C > B8 B5 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B54400FD50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002B5440154B0, 16 bytes long.
Data: < C > 90 B5 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B544016220, 16 bytes long.
Data: <h C > 68 B5 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B5440161D0, 16 bytes long.
Data: <@ C > 40 B5 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B544015870, 16 bytes long.
Data: < C > 18 B5 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B544015AF0, 16 bytes long.
Data: < C > F0 B4 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B5440153C0, 16 bytes long.
Data: < C > C8 B4 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B54400FCF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002B544015A00, 16 bytes long.
Data: < C > A0 B4 FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B543FFB4A0, 320 bytes long.
Data: < Z D D > 00 5A 01 44 B5 02 00 00 F0 FC 00 44 B5 02 00 00
{279} normal block at 0x000002B544015460, 16 bytes long.
Data: <pg D > 70 67 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B544015C30, 16 bytes long.
Data: <Hg D > 48 67 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B5440102F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002B544015BE0, 16 bytes long.
Data: < g D > 20 67 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B544010170, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002B544015D20, 16 bytes long.
Data: <hf D > 68 66 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B5440155A0, 16 bytes long.
Data: <@f D > 40 66 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B544016180, 16 bytes long.
Data: < f D > 18 66 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B544016040, 16 bytes long.
Data: < e D > F0 65 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B544015DC0, 16 bytes long.
Data: < e D > C8 65 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B544015D70, 16 bytes long.
Data: < e D > A0 65 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B544015B40, 16 bytes long.
Data: < F D > F0 46 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B5440146F0, 40 bytes long.
Data: <@[ D E > 40 5B 01 44 B5 02 00 00 80 97 FE 45 B5 02 00 00
{265} normal block at 0x000002B544016270, 16 bytes long.
Data: < e D > 80 65 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B544016310, 16 bytes long.
Data: <Xe D > 58 65 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B54400F810, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002B544015690, 16 bytes long.
Data: <0e D > 30 65 01 44 B5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B544016530, 992 bytes long.
Data: < V D D > 90 56 01 44 B5 02 00 00 10 F8 00 44 B5 02 00 00
{97} normal block at 0x000002B5440100B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002B54400EE20, 16 bytes long.
Data: < C > 20 EF FF 43 B5 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002B543FFEF20, 40 bytes long.
Data: < D D > 20 EE 00 44 B5 02 00 00 B0 00 01 44 B5 02 00 00
{72} normal block at 0x000002B54400EBA0, 16 bytes long.
Data: < H > 80 EA 48 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002B54400ED80, 16 bytes long.
Data: <@ H > 40 E9 48 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002B54400F4B0, 16 bytes long.
Data: < WE > F8 57 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B54400F5A0, 16 bytes long.
Data: < WE > D8 57 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B54400F000, 16 bytes long.
Data: <P E > 50 04 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B54400E880, 16 bytes long.
Data: <0 E > 30 04 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B54400E740, 16 bytes long.
Data: < E > E0 02 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B54400EE70, 16 bytes long.
Data: < E > 10 04 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B54400EDD0, 16 bytes long.
Data: <p E > 70 04 45 FC F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B54400F2D0, 16 bytes long.
Data: < C > 18 C0 43 FC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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