Task 38679794
| Name | test_769-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0276_0 |
| Workunit | 31621555 |
| Created | 26 Oct 2026, 21:47:34 UTC |
| Sent | 26 Oct 2026, 21:47:36 UTC |
| Report deadline | 31 Oct 2026, 21:47:36 UTC |
| Received | 26 Oct 2026, 22:50:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 634205 |
| Run time | 1 hours 1 min 17 sec |
| CPU time | 1 hours 0 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 771.43 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
08:50:09 (35944): wrapper (7.9.26016): starting
08:50:09 (35944): 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
08:50:10 (35944): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:50:10 (35944): 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\15\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\15\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
09:49:46 (35944): C:/Windows/system32/cmd.exe exited; CPU time 3605.687500
09:49:46 (35944): 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: 77383871 bytes.
Dumping objects ->
{3835521} normal block at 0x000002371EEB9640, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x000002371EEB9800, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x000002371EEB9100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835488} normal block at 0x000002371EEB92C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x000002371EEB9330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835446} normal block at 0x0000023720B23E60, 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) : {3835433} normal block at 0x000002371EE916D0, 8 bytes long.
Data: < 3 7 > 00 00 33 1F 37 02 00 00
{3833971} normal block at 0x000002371EE917C0, 8 bytes long.
Data: <àÛç 7 > E0 DB E7 1E 37 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002371EE86000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002371EE87C70, 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 0x000002371EE95A80, 16 bytes long.
Data: <Ègé 7 > C8 67 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002371EE96020, 16 bytes long.
Data: < gé 7 > A0 67 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002371EE905F0, 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 0x000002371EE96340, 16 bytes long.
Data: <xgé 7 > 78 67 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002371EE95F80, 16 bytes long.
Data: <Pgé 7 > 50 67 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002371EE95F30, 16 bytes long.
Data: <(gé 7 > 28 67 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002371EE95EE0, 16 bytes long.
Data: < gé 7 > 00 67 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002371EE8E480, 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 0x000002371EE957B0, 16 bytes long.
Data: < ùè 7 > 08 F9 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002371EE90470, 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 0x000002371EE95710, 16 bytes long.
Data: <àøè 7 > E0 F8 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002371EE95850, 16 bytes long.
Data: <¸øè 7 > B8 F8 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002371EE95FD0, 16 bytes long.
Data: < øè 7 > 90 F8 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002371EE95E40, 16 bytes long.
Data: <høè 7 > 68 F8 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002371EE955D0, 16 bytes long.
Data: <@øè 7 > 40 F8 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002371EE95DA0, 16 bytes long.
Data: < øè 7 > 18 F8 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002371EE8FF90, 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 0x000002371EE95990, 16 bytes long.
Data: <ð÷è 7 > F0 F7 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002371EE8F7F0, 320 bytes long.
Data: < Yé 7 ÿè 7 > 90 59 E9 1E 37 02 00 00 90 FF E8 1E 37 02 00 00
{281} normal block at 0x000002371EE95580, 16 bytes long.
Data: <àfé 7 > E0 66 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002371EE95AD0, 16 bytes long.
Data: <¸fé 7 > B8 66 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002371EE8FE70, 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 0x000002371EE95A30, 16 bytes long.
Data: < fé 7 > 90 66 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002371EE90170, 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 0x000002371EE95670, 16 bytes long.
Data: <Øeé 7 > D8 65 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002371EE95530, 16 bytes long.
Data: <°eé 7 > B0 65 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002371EE95E90, 16 bytes long.
Data: < eé 7 > 88 65 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002371EE954E0, 16 bytes long.
Data: <`eé 7 > 60 65 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002371EE95760, 16 bytes long.
Data: <8eé 7 > 38 65 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002371EE960C0, 16 bytes long.
Data: < eé 7 > 10 65 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002371EE95DF0, 16 bytes long.
Data: <`åè 7 > 60 E5 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002371EE8E560, 40 bytes long.
Data: <ð]é 7 `>² 7 > F0 5D E9 1E 37 02 00 00 60 3E B2 20 37 02 00 00
{267} normal block at 0x000002371EE96160, 16 bytes long.
Data: <ðdé 7 > F0 64 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002371EE95620, 16 bytes long.
Data: <Èdé 7 > C8 64 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002371EE90110, 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 0x000002371EE956C0, 16 bytes long.
Data: < dé 7 > A0 64 E9 1E 37 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002371EE964A0, 992 bytes long.
Data: <ÀVé 7 é 7 > C0 56 E9 1E 37 02 00 00 10 01 E9 1E 37 02 00 00
{99} normal block at 0x000002371EE90230, 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 0x000002371EE91540, 16 bytes long.
Data: < çè 7 > 90 E7 E8 1E 37 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002371EE8E790, 40 bytes long.
Data: <@ é 7 0 é 7 > 40 15 E9 1E 37 02 00 00 30 02 E9 1E 37 02 00 00
{76} normal block at 0x000002371EE90F50, 16 bytes long.
Data: < ê<x÷ > 80 EA 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002371EE90AF0, 16 bytes long.
Data: <@é<x÷ > 40 E9 3C 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002371EE91040, 16 bytes long.
Data: <øW9x÷ > F8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002371EE90E60, 16 bytes long.
Data: <ØW9x÷ > D8 57 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002371EE90FA0, 16 bytes long.
Data: <P 9x÷ > 50 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002371EE91270, 16 bytes long.
Data: <0 9x÷ > 30 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002371EE90B90, 16 bytes long.
Data: <à 9x÷ > E0 02 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002371EE90A50, 16 bytes long.
Data: < 9x÷ > 10 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002371EE913B0, 16 bytes long.
Data: <p 9x÷ > 70 04 39 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002371EE90A00, 16 bytes long.
Data: < À7x÷ > 18 C0 37 78 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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