Task 38683075
| Name | test_364-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4325_0 |
| Workunit | 31624655 |
| Created | 27 Oct 2026, 10:20:48 UTC |
| Sent | 27 Oct 2026, 10:20:56 UTC |
| Report deadline | 1 Nov 2026, 10:20:56 UTC |
| Received | 27 Oct 2026, 12:42:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 51 min 58 sec |
| CPU time | 47 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.02 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:51:20 (2712): wrapper (7.9.26016): starting
06:51:20 (2712): 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
06:51:21 (2712): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:51:21 (2712): 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
07:42:26 (2712): C:/Windows/system32/cmd.exe exited; CPU time 2862.968750
07:42:26 (2712): 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: 47270539 bytes.
Dumping objects ->
{3835508} normal block at 0x000001C9B5CE4E80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x000001C9B5CE53C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x000001C9B5CE5350, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835475} normal block at 0x000001C9B5CE5120, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x000001C9B5CE4DA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835433} normal block at 0x000001C9B7A7BAB0, 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) : {3835420} normal block at 0x000001C9B5CDF000, 8 bytes long.
Data: < 5¶É > 00 00 35 B6 C9 01 00 00
{3833967} normal block at 0x000001C9B5CDEF60, 8 bytes long.
Data: <ÐA­·É > D0 41 AD B7 C9 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C9B5CD6D60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C9B5CD72C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001C9B5CE6950, 16 bytes long.
Data: <Èn뵃 > C8 6E CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C9B5CE62C0, 16 bytes long.
Data: < n뵃 > A0 6E CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C9B5CE0CE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001C9B5CE5F50, 16 bytes long.
Data: <xn뵃 > 78 6E CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C9B5CE6900, 16 bytes long.
Data: <Pn뵃 > 50 6E CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C9B5CE67C0, 16 bytes long.
Data: <(n뵃 > 28 6E CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C9B5CE64F0, 16 bytes long.
Data: < n뵃 > 00 6E CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C9B5CE4EF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001C9B5CE5D70, 16 bytes long.
Data: <ØÿÌµÉ > D8 FF CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C9B5CE09E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001C9B5CE64A0, 16 bytes long.
Data: <°ÿÌµÉ > B0 FF CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C9B5CE6360, 16 bytes long.
Data: < ÿÌµÉ > 88 FF CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C9B5CE68B0, 16 bytes long.
Data: <`ÿÌµÉ > 60 FF CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C9B5CE6630, 16 bytes long.
Data: <8ÿÌµÉ > 38 FF CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C9B5CE5F00, 16 bytes long.
Data: < ÿÌµÉ > 10 FF CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C9B5CE6220, 16 bytes long.
Data: <èþÌµÉ > E8 FE CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C9B5CE0BC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001C9B5CE66D0, 16 bytes long.
Data: <ÀþÌµÉ > C0 FE CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C9B5CCFEC0, 320 bytes long.
Data: <Ðf뵃 À 뵃 > D0 66 CE B5 C9 01 00 00 C0 0B CE B5 C9 01 00 00
{279} normal block at 0x000001C9B5CE6720, 16 bytes long.
Data: <àm뵃 > E0 6D CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C9B5CE6270, 16 bytes long.
Data: <¸m뵃 > B8 6D CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C9B5CE0C80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001C9B5CE6A90, 16 bytes long.
Data: < m뵃 > 90 6D CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C9B5CE1160, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001C9B5CE6130, 16 bytes long.
Data: <Øl뵃 > D8 6C CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C9B5CE60E0, 16 bytes long.
Data: <°l뵃 > B0 6C CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C9B5CE6400, 16 bytes long.
Data: < l뵃 > 88 6C CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C9B5CE5C30, 16 bytes long.
Data: <`l뵃 > 60 6C CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C9B5CE6090, 16 bytes long.
Data: <8l뵃 > 38 6C CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C9B5CE6810, 16 bytes long.
Data: < l뵃 > 10 6C CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C9B5CE6040, 16 bytes long.
Data: <`O뵃 > 60 4F CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C9B5CE4F60, 40 bytes long.
Data: <@`뵃 °º§·É > 40 60 CE B5 C9 01 00 00 B0 BA A7 B7 C9 01 00 00
{265} normal block at 0x000001C9B5CE5E10, 16 bytes long.
Data: <ðk뵃 > F0 6B CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C9B5CE6180, 16 bytes long.
Data: <Èk뵃 > C8 6B CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C9B5CE0620, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001C9B5CE61D0, 16 bytes long.
Data: < k뵃 > A0 6B CE B5 C9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C9B5CE6BA0, 992 bytes long.
Data: <Ða뵃 뵃 > D0 61 CE B5 C9 01 00 00 20 06 CE B5 C9 01 00 00
{97} normal block at 0x000001C9B5CE0560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001C9B5CDECE0, 16 bytes long.
Data: <pÌÌµÉ > 70 CC CC B5 C9 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001C9B5CCCC70, 40 bytes long.
Data: <àì굃 ` 뵃 > E0 EC CD B5 C9 01 00 00 60 05 CE B5 C9 01 00 00
{74} normal block at 0x000001C9B5CDEEC0, 16 bytes long.
Data: < ê °ö > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C9B5CDE970, 16 bytes long.
Data: <@é °ö > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C9B5CDF230, 16 bytes long.
Data: <øW °ö > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C9B5CDF1E0, 16 bytes long.
Data: <ØW °ö > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C9B5CDEE70, 16 bytes long.
Data: <P °ö > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C9B5CDE920, 16 bytes long.
Data: <0 °ö > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C9B5CDE790, 16 bytes long.
Data: <à °ö > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C9B5CDEBF0, 16 bytes long.
Data: < °ö > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C9B5CDEDD0, 16 bytes long.
Data: <p °ö > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C9B5CDE7E0, 16 bytes long.
Data: < À›°ö > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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