Task 38689808
| Name | test_710-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1983_0 |
| Workunit | 31631032 |
| Created | 28 Oct 2026, 23:46:18 UTC |
| Sent | 28 Oct 2026, 23:46:27 UTC |
| Report deadline | 2 Nov 2026, 23:46:27 UTC |
| Received | 5 Nov 2026, 6:32:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649255 |
| Run time | 49 min 59 sec |
| CPU time | 33 min 32 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 15,117.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 651.48 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:01:15 (6152): wrapper (7.9.26016): starting
18:01:15 (6152): 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
18:01:16 (6152): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:01:16 (6152): 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.
21:43:53 (20368): wrapper (7.9.26016): starting
21:43:53 (20368): 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\4\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
22:32:13 (20368): C:/Windows/system32/cmd.exe exited; CPU time 2012.250000
22:32:13 (20368): 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: 44740770 bytes.
Dumping objects ->
{1551} normal block at 0x0000015F2BDC4A90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1540} normal block at 0x0000015F2BDC4E80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x0000015F2BDC4B00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1518} normal block at 0x0000015F2BDC4F60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1507} normal block at 0x0000015F2BDC4E10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1476} normal block at 0x0000015F2BDB0640, 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) : {1463} normal block at 0x0000015F2BDC6320, 8 bytes long.
Data: < +_ > 00 00 D8 2B 5F 01 00 00
{307} normal block at 0x0000015F2BDC62D0, 8 bytes long.
Data: <0i +_ > 30 69 DC 2B 5F 01 00 00
{298} normal block at 0x0000015F2BDAF710, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000015F2BDC6550, 16 bytes long.
Data: <(X +_ > 28 58 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015F2BDC6280, 16 bytes long.
Data: < X +_ > 00 58 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015F2BDC05C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000015F2BDC6230, 16 bytes long.
Data: < W +_ > D8 57 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015F2BDC5E20, 16 bytes long.
Data: < W +_ > B0 57 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015F2BDC61E0, 16 bytes long.
Data: < W +_ > 88 57 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015F2BDC5C90, 16 bytes long.
Data: <`W +_ > 60 57 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015F2BDC4DA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000015F2BDC6140, 16 bytes long.
Data: <( +_ > 28 B9 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015F2BDC0C80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000015F2BDC60F0, 16 bytes long.
Data: < +_ > 00 B9 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015F2BDC6500, 16 bytes long.
Data: < +_ > D8 B8 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015F2BDC65A0, 16 bytes long.
Data: < +_ > B0 B8 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015F2BDC6370, 16 bytes long.
Data: < +_ > 88 B8 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015F2BDC60A0, 16 bytes long.
Data: <` +_ > 60 B8 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015F2BDC5B50, 16 bytes long.
Data: <8 +_ > 38 B8 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015F2BDBFFC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000015F2BDC6050, 16 bytes long.
Data: < +_ > 10 B8 DA 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015F2BDAB810, 320 bytes long.
Data: <P` +_ +_ > 50 60 DC 2B 5F 01 00 00 C0 FF DB 2B 5F 01 00 00
{277} normal block at 0x0000015F2BDC64B0, 16 bytes long.
Data: <@W +_ > 40 57 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015F2BDC6190, 16 bytes long.
Data: < W +_ > 18 57 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015F2BDBFF60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000015F2BDC5DD0, 16 bytes long.
Data: < V +_ > F0 56 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015F2BDC00E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000015F2BDC5B00, 16 bytes long.
Data: <8V +_ > 38 56 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015F2BDC5BA0, 16 bytes long.
Data: < V +_ > 10 56 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015F2BDC6640, 16 bytes long.
Data: < U +_ > E8 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015F2BDC6000, 16 bytes long.
Data: < U +_ > C0 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015F2BDC6460, 16 bytes long.
Data: < U +_ > 98 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015F2BDBF5E0, 16 bytes long.
Data: <pU +_ > 70 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015F2BDBFBD0, 16 bytes long.
Data: <0M +_ > 30 4D DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015F2BDC4D30, 40 bytes long.
Data: < +_ @ +_ > D0 FB DB 2B 5F 01 00 00 40 06 DB 2B 5F 01 00 00
{263} normal block at 0x0000015F2BDBF1D0, 16 bytes long.
Data: <PU +_ > 50 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015F2BDBF9F0, 16 bytes long.
Data: <(U +_ > 28 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015F2BDBFF00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000015F2BDBF220, 16 bytes long.
Data: < U +_ > 00 55 DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015F2BDC5500, 992 bytes long.
Data: < +_ +_ > 20 F2 DB 2B 5F 01 00 00 00 FF DB 2B 5F 01 00 00
{95} normal block at 0x0000015F2BDC0AA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000015F2BDBF4F0, 16 bytes long.
Data: < N +_ > F0 4E DC 2B 5F 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000015F2BDC4EF0, 40 bytes long.
Data: < +_ +_ > F0 F4 DB 2B 5F 01 00 00 A0 0A DC 2B 5F 01 00 00
{72} normal block at 0x0000015F2BDBEF00, 16 bytes long.
Data: < > 80 EA A0 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015F2BDBF180, 16 bytes long.
Data: <@ > 40 E9 A0 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015F2BDBFC70, 16 bytes long.
Data: < W > F8 57 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015F2BDBED70, 16 bytes long.
Data: < W > D8 57 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015F2BDBEE60, 16 bytes long.
Data: <P > 50 04 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015F2BDBEFF0, 16 bytes long.
Data: <0 > 30 04 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015F2BDBF090, 16 bytes long.
Data: < > E0 02 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015F2BDBF680, 16 bytes long.
Data: < > 10 04 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015F2BDBF2C0, 16 bytes long.
Data: <p > 70 04 9D EE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015F2BDBF4A0, 16 bytes long.
Data: < > 18 C0 9B EE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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