Task 38661010
| Name | test_184-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND1419_0 |
| Workunit | 31604463 |
| Created | 24 Oct 2026, 15:04:38 UTC |
| Sent | 24 Oct 2026, 15:10:27 UTC |
| Report deadline | 29 Oct 2026, 15:10:27 UTC |
| Received | 24 Oct 2026, 22:18:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 33 min 34 sec |
| CPU time | 1 hours 26 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.73 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:10:41 (5204): wrapper (7.9.26016): starting
02:10:41 (5204): 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
02:10:44 (5204): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:10:44 (5204): 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
03:41:43 (5204): C:/Windows/system32/cmd.exe exited; CPU time 5207.562500
03:41:43 (5204): 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: 114236775 bytes.
Dumping objects ->
{3835610} normal block at 0x0000026DC508D570, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835599} normal block at 0x0000026DC508D6C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835588} normal block at 0x0000026DC508D7A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835577} normal block at 0x0000026DC508E060, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x0000026DC31B57D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835535} normal block at 0x0000026DC50D9710, 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) : {3835522} normal block at 0x0000026DC31AE750, 8 bytes long.
Data: < m > 00 00 18 C3 6D 02 00 00
{3834083} normal block at 0x0000026DC31AE1B0, 8 bytes long.
Data: <`T m > 60 54 13 C5 6D 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000026DC31B2810, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000026DC31A72D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000026DC31B67B0, 16 bytes long.
Data: <xw m > 78 77 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000026DC31B6F30, 16 bytes long.
Data: <Pw m > 50 77 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000026DC31B0B20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000026DC31B65D0, 16 bytes long.
Data: <(w m > 28 77 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026DC31B6EE0, 16 bytes long.
Data: < w m > 00 77 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026DC31B6C10, 16 bytes long.
Data: < v m > D8 76 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026DC31B6BC0, 16 bytes long.
Data: < v m > B0 76 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026DC31B55A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000026DC31B6E90, 16 bytes long.
Data: <H` m > 48 60 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026DC31AFD40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000026DC31B6CB0, 16 bytes long.
Data: < ` m > 20 60 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026DC31B6B70, 16 bytes long.
Data: < _ m > F8 5F 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026DC31B72F0, 16 bytes long.
Data: < _ m > D0 5F 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026DC31B6760, 16 bytes long.
Data: < _ m > A8 5F 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026DC31B6C60, 16 bytes long.
Data: < _ m > 80 5F 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026DC31B6E40, 16 bytes long.
Data: <X_ m > 58 5F 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026DC31B0340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000026DC31B6A80, 16 bytes long.
Data: <0_ m > 30 5F 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026DC31B5F30, 320 bytes long.
Data: < j m @ m > 80 6A 1B C3 6D 02 00 00 40 03 1B C3 6D 02 00 00
{282} normal block at 0x0000026DC31B69E0, 16 bytes long.
Data: < v m > 90 76 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026DC31B73E0, 16 bytes long.
Data: <hv m > 68 76 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026DC31B0880, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000026DC31B6990, 16 bytes long.
Data: <@v m > 40 76 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026DC31B0460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000026DC31B6DA0, 16 bytes long.
Data: < u m > 88 75 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026DC31B6940, 16 bytes long.
Data: <`u m > 60 75 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026DC31B68A0, 16 bytes long.
Data: <8u m > 38 75 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026DC31B6D00, 16 bytes long.
Data: < u m > 10 75 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026DC31B70C0, 16 bytes long.
Data: < t m > E8 74 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026DC31B6670, 16 bytes long.
Data: < t m > C0 74 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026DC31B6B20, 16 bytes long.
Data: <0U m > 30 55 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026DC31B5530, 40 bytes long.
Data: < k m m > 20 6B 1B C3 6D 02 00 00 10 97 0D C5 6D 02 00 00
{268} normal block at 0x0000026DC31B6710, 16 bytes long.
Data: < t m > A0 74 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026DC31B6850, 16 bytes long.
Data: <xt m > 78 74 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026DC31AFFE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000026DC31B6DF0, 16 bytes long.
Data: <Pt m > 50 74 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026DC31B7450, 992 bytes long.
Data: < m m m > F0 6D 1B C3 6D 02 00 00 E0 FF 1A C3 6D 02 00 00
{100} normal block at 0x0000026DC31B0760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000026DC31AE980, 16 bytes long.
Data: < Z m > 00 5A 1B C3 6D 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000026DC31B5A00, 40 bytes long.
Data: < m ` m > 80 E9 1A C3 6D 02 00 00 60 07 1B C3 6D 02 00 00
{75} normal block at 0x0000026DC31AE700, 16 bytes long.
Data: < p > 80 EA DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026DC31AEB10, 16 bytes long.
Data: <@ p > 40 E9 DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026DC31AE6B0, 16 bytes long.
Data: < W p > F8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026DC31AE610, 16 bytes long.
Data: < W p > D8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026DC31AE8E0, 16 bytes long.
Data: <P p > 50 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026DC31AEC50, 16 bytes long.
Data: <0 p > 30 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026DC31AE430, 16 bytes long.
Data: < p > E0 02 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026DC31AEAC0, 16 bytes long.
Data: < p > 10 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026DC31AEC00, 16 bytes long.
Data: <p p > 70 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026DC31AEE80, 16 bytes long.
Data: < p > 18 C0 DA 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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