Task 38688163
| Name | test_701-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4332_1 |
| Workunit | 31629385 |
| Created | 28 Oct 2026, 12:03:06 UTC |
| Sent | 28 Oct 2026, 12:03:18 UTC |
| Report deadline | 2 Nov 2026, 12:03:18 UTC |
| Received | 28 Oct 2026, 12:49:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618582 |
| Run time | 30 min 56 sec |
| CPU time | 22 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.80 MB |
| Peak swap size | 13.17 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:17:59 (24792): wrapper (7.9.26016): starting
05:17:59 (24792): 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
05:18:06 (24792): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:18:06 (24792): 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\7\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\7\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
05:47:59 (24792): C:/Windows/system32/cmd.exe exited; CPU time 1327.812500
05:47:59 (24792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 19262001 bytes.
Dumping objects ->
{3835569} normal block at 0x00000273A4BCC540, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x00000273A2EB4820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x00000273A2EB47B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x00000273A2EB4740, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x00000273A2EB42E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x00000273A4C148C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x00000273A2ED92A0, 155 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) : {3835480} normal block at 0x00000273A2EADFF0, 8 bytes long.
Data: < æ¢s > 00 00 E6 A2 73 02 00 00
{3834699} normal block at 0x00000273A2ED9E00, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x00000273A2EAE180, 8 bytes long.
Data: <`Kʤs > 60 4B CA A4 73 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000273A2EB0010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000273A2EA59B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000273A2EB5680, 16 bytes long.
Data: < _ë¢s > 18 5F EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000273A2EB50E0, 16 bytes long.
Data: <ð^ë¢s > F0 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000273A2EAEF80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000273A2EB56D0, 16 bytes long.
Data: <È^ë¢s > C8 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000273A2EB4D20, 16 bytes long.
Data: < ^ë¢s > A0 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000273A2EB5220, 16 bytes long.
Data: <x^ë¢s > 78 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000273A2EB4D70, 16 bytes long.
Data: <P^ë¢s > 50 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000273A2EB43C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000273A2EB5B80, 16 bytes long.
Data: <xÝê¢s > 78 DD EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000273A2EAF9A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000273A2EB5860, 16 bytes long.
Data: <PÝê¢s > 50 DD EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000273A2EB5B30, 16 bytes long.
Data: <(Ýê¢s > 28 DD EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000273A2EB59F0, 16 bytes long.
Data: < Ýê¢s > 00 DD EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000273A2EB5900, 16 bytes long.
Data: <ØÜê¢s > D8 DC EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000273A2EB4C80, 16 bytes long.
Data: <°Üê¢s > B0 DC EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000273A2EB59A0, 16 bytes long.
Data: < Üê¢s > 88 DC EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000273A2EAF4C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000273A2EB5A90, 16 bytes long.
Data: <`Üê¢s > 60 DC EA A2 73 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000273A2EADC60, 320 bytes long.
Data: < Zë¢s Àôê¢s > 90 5A EB A2 73 02 00 00 C0 F4 EA A2 73 02 00 00
{276} normal block at 0x00000273A2EB5AE0, 16 bytes long.
Data: <0^ë¢s > 30 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000273A2EB5A40, 16 bytes long.
Data: < ^ë¢s > 08 5E EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000273A2EAFD00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000273A2EB4DC0, 16 bytes long.
Data: <à]ë¢s > E0 5D EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000273A2EAEFE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000273A2EB52C0, 16 bytes long.
Data: <(]ë¢s > 28 5D EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000273A2EB4F00, 16 bytes long.
Data: < ]ë¢s > 00 5D EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000273A2EB4C30, 16 bytes long.
Data: <Ø\ë¢s > D8 5C EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000273A2EB5180, 16 bytes long.
Data: <°\ë¢s > B0 5C EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000273A2EB5360, 16 bytes long.
Data: < \ë¢s > 88 5C EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000273A2EB51D0, 16 bytes long.
Data: <`\ë¢s > 60 5C EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000273A2EB58B0, 16 bytes long.
Data: <PCë¢s > 50 43 EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000273A2EB4350, 40 bytes long.
Data: <°Xë¢s ÀHÁ¤s > B0 58 EB A2 73 02 00 00 C0 48 C1 A4 73 02 00 00
{262} normal block at 0x00000273A2EB5130, 16 bytes long.
Data: <@\ë¢s > 40 5C EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000273A2EB5770, 16 bytes long.
Data: < \ë¢s > 18 5C EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000273A2EAFD60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000273A2EB5950, 16 bytes long.
Data: <ð[ë¢s > F0 5B EB A2 73 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000273A2EB5BF0, 992 bytes long.
Data: <PYë¢s `ýê¢s > 50 59 EB A2 73 02 00 00 60 FD EA A2 73 02 00 00
{94} normal block at 0x00000273A2EAF640, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000273A2EAE360, 16 bytes long.
Data: <°ïé¢s > B0 EF E9 A2 73 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000273A2E9EFB0, 40 bytes long.
Data: <`ãê¢s @öê¢s > 60 E3 EA A2 73 02 00 00 40 F6 EA A2 73 02 00 00
{71} normal block at 0x00000273A2EADEB0, 16 bytes long.
Data: < ê#A÷ > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000273A2EAE5E0, 16 bytes long.
Data: <@é#A÷ > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000273A2EAE810, 16 bytes long.
Data: <øW A÷ > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000273A2EAEAE0, 16 bytes long.
Data: <ØW A÷ > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000273A2EAE900, 16 bytes long.
Data: <P A÷ > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000273A2EAEB80, 16 bytes long.
Data: <0 A÷ > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000273A2EAE450, 16 bytes long.
Data: <à A÷ > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000273A2EAECC0, 16 bytes long.
Data: < A÷ > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000273A2EAE130, 16 bytes long.
Data: <p A÷ > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000273A2EAEE00, 16 bytes long.
Data: < À A÷ > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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