Task 38672123
| Name | test_905-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0235_0 |
| Workunit | 31614292 |
| Created | 25 Oct 2026, 22:31:08 UTC |
| Sent | 25 Oct 2026, 22:31:18 UTC |
| Report deadline | 30 Oct 2026, 22:31:18 UTC |
| Received | 26 Oct 2026, 8:37:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 45 min 12 sec |
| CPU time | 34 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.20 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:52:08 (10080): wrapper (7.9.26016): starting
23:52:08 (10080): 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
23:52:12 (10080): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:52:12 (10080): 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.
09:19:09 (26980): wrapper (7.9.26016): starting
09:19:09 (26980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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: Exiting with failure status due to previous errors
09:36:58 (26980): C:/Windows/system32/cmd.exe exited; CPU time 927.875000
09:36:58 (26980): 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: 17325042 bytes.
Dumping objects ->
{1614} normal block at 0x00000271E5375C90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x00000271E53756E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x00000271E5375A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x00000271E53759F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x00000271E53758A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x00000271E536FB10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x00000271E535BCA0, 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) : {1525} normal block at 0x00000271E53772F0, 8 bytes long.
Data: < 2 q > 00 00 32 E5 71 02 00 00
{906} normal block at 0x00000271E535EAC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000271E5377660, 8 bytes long.
Data: < x7 q > 10 78 37 E5 71 02 00 00
{295} normal block at 0x00000271E5366C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000271E5376A30, 16 bytes long.
Data: < g7 q > 08 67 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000271E53771B0, 16 bytes long.
Data: < f7 q > E0 66 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000271E536E3B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000271E5377700, 16 bytes long.
Data: < f7 q > B8 66 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000271E53775C0, 16 bytes long.
Data: < f7 q > 90 66 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000271E5376F30, 16 bytes long.
Data: <hf7 q > 68 66 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000271E5377160, 16 bytes long.
Data: <@f7 q > 40 66 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000271E5375C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000271E5377390, 16 bytes long.
Data: < 6 q > A8 FA 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000271E536EEF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000271E5377610, 16 bytes long.
Data: < 6 q > 80 FA 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000271E53772A0, 16 bytes long.
Data: <X 6 q > 58 FA 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000271E5377520, 16 bytes long.
Data: <0 6 q > 30 FA 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000271E5376E40, 16 bytes long.
Data: < 6 q > 08 FA 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000271E53769E0, 16 bytes long.
Data: < 6 q > E0 F9 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000271E53776B0, 16 bytes long.
Data: < 6 q > B8 F9 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000271E536E2F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000271E5376CB0, 16 bytes long.
Data: < 6 q > 90 F9 36 E5 71 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000271E536F990, 320 bytes long.
Data: < l7 q 6 q > B0 6C 37 E5 71 02 00 00 F0 E2 36 E5 71 02 00 00
{274} normal block at 0x00000271E5377020, 16 bytes long.
Data: < f7 q > 20 66 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000271E5376EE0, 16 bytes long.
Data: < e7 q > F8 65 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000271E536E9B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000271E5377070, 16 bytes long.
Data: < e7 q > D0 65 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000271E536E1D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000271E5377250, 16 bytes long.
Data: < e7 q > 18 65 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000271E53768A0, 16 bytes long.
Data: < d7 q > F0 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000271E5377480, 16 bytes long.
Data: < d7 q > C8 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000271E5376990, 16 bytes long.
Data: < d7 q > A0 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000271E5376D50, 16 bytes long.
Data: <xd7 q > 78 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000271E53704A0, 16 bytes long.
Data: <Pd7 q > 50 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000271E5370400, 16 bytes long.
Data: <pV7 q > 70 56 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000271E5375670, 40 bytes long.
Data: < 7 q 6 q > 00 04 37 E5 71 02 00 00 10 FB 36 E5 71 02 00 00
{260} normal block at 0x00000271E536FFA0, 16 bytes long.
Data: <0d7 q > 30 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000271E5370270, 16 bytes long.
Data: < d7 q > 08 64 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000271E536E0B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000271E536FEB0, 16 bytes long.
Data: < c7 q > E0 63 37 E5 71 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000271E53763E0, 992 bytes long.
Data: < 6 q 6 q > B0 FE 36 E5 71 02 00 00 B0 E0 36 E5 71 02 00 00
{92} normal block at 0x00000271E536E4D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000271E536FDC0, 16 bytes long.
Data: < 5 q > A0 CD 35 E5 71 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000271E535CDA0, 40 bytes long.
Data: < 6 q 6 q > C0 FD 36 E5 71 02 00 00 D0 E4 36 E5 71 02 00 00
{69} normal block at 0x00000271E5370360, 16 bytes long.
Data: < I > 80 EA FD 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000271E53704F0, 16 bytes long.
Data: <@ I > 40 E9 FD 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000271E5370810, 16 bytes long.
Data: < W I > F8 57 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000271E5370590, 16 bytes long.
Data: < W I > D8 57 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000271E5370A90, 16 bytes long.
Data: <P I > 50 04 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000271E536FC30, 16 bytes long.
Data: <0 I > 30 04 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000271E53702C0, 16 bytes long.
Data: < I > E0 02 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000271E53700E0, 16 bytes long.
Data: < I > 10 04 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000271E5370450, 16 bytes long.
Data: <p I > 70 04 FA 49 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000271E536FF00, 16 bytes long.
Data: < I > 18 C0 F8 49 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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