Task 38687250
| Name | test_721-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5509_0 |
| Workunit | 31628644 |
| Created | 28 Oct 2026, 6:47:13 UTC |
| Sent | 28 Oct 2026, 6:47:16 UTC |
| Report deadline | 2 Nov 2026, 6:47:16 UTC |
| Received | 28 Oct 2026, 7:55:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 1 hours 7 min 38 sec |
| CPU time | 1 hours 2 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 873.70 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:49:13 (1552): wrapper (7.9.26016): starting
08:49:13 (1552): 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
08:49:15 (1552): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:49:15 (1552): 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\4\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\4\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
09:55:08 (1552): C:/Windows/system32/cmd.exe exited; CPU time 3746.921875
09:55:08 (1552): 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: 46783379 bytes.
Dumping objects ->
{3835194} normal block at 0x000002CDC82913A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000002CDC8290BC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000002CDC8290FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x000002CDC8291100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x000002CDC8290840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x000002CDC83FB920, 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) : {3835106} normal block at 0x000002CDC67E5D00, 8 bytes long.
Data: < *ÈÍ > 00 00 2A C8 CD 02 00 00
{3833949} normal block at 0x000002CDC67E59E0, 8 bytes long.
Data: <°hEÈÍ > B0 68 45 C8 CD 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002CDC67F0C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002CDC67D5CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000002CDC67F1B80, 16 bytes long.
Data: <(/ ÆÍ > 28 2F 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002CDC67F21C0, 16 bytes long.
Data: < / ÆÍ > 00 2F 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002CDC67EBD00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000002CDC67F2170, 16 bytes long.
Data: <Ø. ÆÍ > D8 2E 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CDC67F20D0, 16 bytes long.
Data: <°. ÆÍ > B0 2E 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CDC67F2030, 16 bytes long.
Data: < . ÆÍ > 88 2E 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CDC67F1B30, 16 bytes long.
Data: <`. ÆÍ > 60 2E 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CDC67EA650, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000002CDC67F1E50, 16 bytes long.
Data: < \}ÆÍ > 88 5C 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CDC67EBDC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000002CDC67F1F90, 16 bytes long.
Data: <`\}ÆÍ > 60 5C 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002CDC67F1E00, 16 bytes long.
Data: <8\}ÆÍ > 38 5C 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CDC67F2800, 16 bytes long.
Data: < \}ÆÍ > 10 5C 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CDC67F1F40, 16 bytes long.
Data: <è[}ÆÍ > E8 5B 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CDC67F2620, 16 bytes long.
Data: <À[}ÆÍ > C0 5B 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CDC67F2710, 16 bytes long.
Data: < [}ÆÍ > 98 5B 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002CDC67EBAC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000002CDC67F1D10, 16 bytes long.
Data: <p[}ÆÍ > 70 5B 7D C6 CD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CDC67D5B70, 320 bytes long.
Data: < ÆÍ Àº~ÆÍ > 10 1D 7F C6 CD 02 00 00 C0 BA 7E C6 CD 02 00 00
{270} normal block at 0x000002CDC67F2530, 16 bytes long.
Data: <@. ÆÍ > 40 2E 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CDC67F29E0, 16 bytes long.
Data: < . ÆÍ > 18 2E 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002CDC67EB700, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000002CDC67F1A90, 16 bytes long.
Data: <ð- ÆÍ > F0 2D 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002CDC67EB820, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000002CDC67F2940, 16 bytes long.
Data: <8- ÆÍ > 38 2D 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CDC67F2490, 16 bytes long.
Data: < - ÆÍ > 10 2D 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002CDC67F2990, 16 bytes long.
Data: <è, ÆÍ > E8 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002CDC67F28F0, 16 bytes long.
Data: <À, ÆÍ > C0 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002CDC67F1D60, 16 bytes long.
Data: < , ÆÍ > 98 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002CDC67F28A0, 16 bytes long.
Data: <p, ÆÍ > 70 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002CDC67F23A0, 16 bytes long.
Data: < ¨~ÆÍ > 80 A8 7E C6 CD 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002CDC67EA880, 40 bytes long.
Data: < # ÆÍ ¹?ÈÍ > A0 23 7F C6 CD 02 00 00 20 B9 3F C8 CD 02 00 00
{256} normal block at 0x000002CDC67F1C70, 16 bytes long.
Data: <P, ÆÍ > 50 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002CDC67F2760, 16 bytes long.
Data: <(, ÆÍ > 28 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002CDC67EBC40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000002CDC67F22B0, 16 bytes long.
Data: < , ÆÍ > 00 2C 7F C6 CD 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002CDC67F2C00, 992 bytes long.
Data: <°" ÆÍ @¼~ÆÍ > B0 22 7F C6 CD 02 00 00 40 BC 7E C6 CD 02 00 00
{88} normal block at 0x000002CDC67EBBE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000002CDC67E6200, 16 bytes long.
Data: <@£~ÆÍ > 40 A3 7E C6 CD 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002CDC67EA340, 40 bytes long.
Data: < b~ÆÍ à»~ÆÍ > 00 62 7E C6 CD 02 00 00 E0 BB 7E C6 CD 02 00 00
{65} normal block at 0x000002CDC67E57B0, 16 bytes long.
Data: < êÀj÷ > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002CDC67E53F0, 16 bytes long.
Data: <@éÀj÷ > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002CDC67E61B0, 16 bytes long.
Data: <øW½j÷ > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002CDC67E6020, 16 bytes long.
Data: <ØW½j÷ > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002CDC67E5850, 16 bytes long.
Data: <P ½j÷ > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002CDC67E6160, 16 bytes long.
Data: <0 ½j÷ > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002CDC67E5C10, 16 bytes long.
Data: <à ½j÷ > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002CDC67E5D50, 16 bytes long.
Data: < ½j÷ > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002CDC67E5C60, 16 bytes long.
Data: <p ½j÷ > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002CDC67E54E0, 16 bytes long.
Data: < À»j÷ > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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