Task 38666977
| Name | test_648-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2779_0 |
| Workunit | 31609691 |
| Created | 25 Oct 2026, 5:43:27 UTC |
| Sent | 25 Oct 2026, 5:43:31 UTC |
| Report deadline | 30 Oct 2026, 5:43:31 UTC |
| Received | 25 Oct 2026, 7:12:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628942 |
| Run time | 1 hours 4 min 53 sec |
| CPU time | 53 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,879.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.04 MB |
| Peak swap size | 2.18 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
03:08:38 (11868): wrapper (7.9.26016): starting
03:08:38 (11868): 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
03:08:49 (11868): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:08:49 (11868): 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\0\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\0\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
04:12:36 (11868): C:/Windows/system32/cmd.exe exited; CPU time 3203.562500
04:12:36 (11868): 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: 45561881 bytes.
Dumping objects ->
{3835273} normal block at 0x000002B76A825FA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000002B76A825D70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x000002B76A825D00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835240} normal block at 0x000002B76A825C90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000002B768B71210, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835198} normal block at 0x000002B76A78C080, 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) : {3835185} normal block at 0x000002B768B6B3F0, 8 bytes long.
Data: < dj· > 00 00 64 6A B7 02 00 00
{3833957} normal block at 0x000002B768B6BA30, 8 bytes long.
Data: <`ĵh· > 60 C4 B5 68 B7 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002B768B5FB80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B768B60B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002B768B72E70, 16 bytes long.
Data: <xC·h· > 78 43 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B768B72FB0, 16 bytes long.
Data: <PC·h· > 50 43 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B768B6D950, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002B768B73AF0, 16 bytes long.
Data: <(C·h· > 28 43 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B768B731E0, 16 bytes long.
Data: < C·h· > 00 43 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B768B73000, 16 bytes long.
Data: <ØB·h· > D8 42 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B768B73370, 16 bytes long.
Data: <°B·h· > B0 42 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B768B718A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002B768B72CE0, 16 bytes long.
Data: <(èµh· > 28 E8 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B768B6DCB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002B768B73640, 16 bytes long.
Data: < èµh· > 00 E8 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B768B73A50, 16 bytes long.
Data: <Øçµh· > D8 E7 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B768B73460, 16 bytes long.
Data: <°çµh· > B0 E7 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B768B737D0, 16 bytes long.
Data: < çµh· > 88 E7 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B768B73190, 16 bytes long.
Data: <`çµh· > 60 E7 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B768B72F60, 16 bytes long.
Data: <8çµh· > 38 E7 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B768B6CE70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002B768B73910, 16 bytes long.
Data: < çµh· > 10 E7 B5 68 B7 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B768B5E710, 320 bytes long.
Data: < 9·h· pζh· > 10 39 B7 68 B7 02 00 00 70 CE B6 68 B7 02 00 00
{274} normal block at 0x000002B768B73500, 16 bytes long.
Data: < B·h· > 90 42 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B768B73A00, 16 bytes long.
Data: <hB·h· > 68 42 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B768B6D7D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002B768B72C90, 16 bytes long.
Data: <@B·h· > 40 42 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B768B6DA70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002B768B739B0, 16 bytes long.
Data: < A·h· > 88 41 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B768B734B0, 16 bytes long.
Data: <`A·h· > 60 41 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B768B735F0, 16 bytes long.
Data: <8A·h· > 38 41 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B768B73280, 16 bytes long.
Data: < A·h· > 10 41 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B768B72E20, 16 bytes long.
Data: <è@·h· > E8 40 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B768B738C0, 16 bytes long.
Data: <À@·h· > C0 40 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B768B73140, 16 bytes long.
Data: <@ ·h· > 40 14 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B768B71440, 40 bytes long.
Data: <@1·h· Àxj· > 40 31 B7 68 B7 02 00 00 80 C0 78 6A B7 02 00 00
{260} normal block at 0x000002B768B73AA0, 16 bytes long.
Data: < @·h· > A0 40 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B768B73B90, 16 bytes long.
Data: <x@·h· > 78 40 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B768B6DB30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002B768B73B40, 16 bytes long.
Data: <P@·h· > 50 40 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002B768B74050, 992 bytes long.
Data: <@;·h· 0Û¶h· > 40 3B B7 68 B7 02 00 00 30 DB B6 68 B7 02 00 00
{92} normal block at 0x000002B768B6D650, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002B768B6B6C0, 16 bytes long.
Data: <` ·h· > 60 13 B7 68 B7 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002B768B71360, 40 bytes long.
Data: <À¶¶h· PÖ¶h· > C0 B6 B6 68 B7 02 00 00 50 D6 B6 68 B7 02 00 00
{69} normal block at 0x000002B768B6BAD0, 16 bytes long.
Data: < ê³ùö > 80 EA B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B768B6B0D0, 16 bytes long.
Data: <@é³ùö > 40 E9 B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B768B6B800, 16 bytes long.
Data: <øW°ùö > F8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B768B6B1C0, 16 bytes long.
Data: <ØW°ùö > D8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B768B6B5D0, 16 bytes long.
Data: <P °ùö > 50 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B768B6B850, 16 bytes long.
Data: <0 °ùö > 30 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B768B6AEA0, 16 bytes long.
Data: <à °ùö > E0 02 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B768B6AC70, 16 bytes long.
Data: < °ùö > 10 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B768B6B580, 16 bytes long.
Data: <p °ùö > 70 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B768B6B490, 16 bytes long.
Data: < À®ùö > 18 C0 AE F9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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