Task 38668425
| Name | test_249-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4071_0 |
| Workunit | 31610950 |
| Created | 25 Oct 2026, 11:42:07 UTC |
| Sent | 25 Oct 2026, 11:42:10 UTC |
| Report deadline | 30 Oct 2026, 11:42:10 UTC |
| Received | 25 Oct 2026, 14:44:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 42 min 46 sec |
| CPU time | 38 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 689.25 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:59:04 (12404): wrapper (7.9.26016): starting
04:59:04 (12404): 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
04:59:06 (12404): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:59:06 (12404): 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.
05:41:06 (1968): wrapper (7.9.26016): starting
05:41:06 (1968): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
06:41:05 (20192): wrapper (7.9.26016): starting
06:41:05 (20192): 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\0\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
07:01:24 (20192): C:/Windows/system32/cmd.exe exited; CPU time 1120.781250
07:01:24 (20192): 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: 18414228 bytes.
Dumping objects ->
{1593} normal block at 0x000001B720E762D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001B720E761F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x000001B720E760A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1560} normal block at 0x000001B720E76030, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x000001B720E75CB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1518} normal block at 0x000001B720E74270, 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) : {1505} normal block at 0x000001B720E74940, 8 bytes long.
Data: < > 00 00 E3 20 B7 01 00 00
{303} normal block at 0x000001B720E752F0, 8 bytes long.
Data: < = > F0 3D E7 20 B7 01 00 00
{294} normal block at 0x000001B720E6D340, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001B720E74EE0, 16 bytes long.
Data: < Z > 88 5A E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B720E74A80, 16 bytes long.
Data: <`Z > 60 5A E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B720E6F8A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001B720E743A0, 16 bytes long.
Data: <8Z > 38 5A E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B720E752A0, 16 bytes long.
Data: < Z > 10 5A E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B720E75250, 16 bytes long.
Data: < Y > E8 59 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B720E745D0, 16 bytes long.
Data: < Y > C0 59 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B720E75F50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001B720E74620, 16 bytes long.
Data: < > 18 B4 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B720E6F3C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001B720E74E40, 16 bytes long.
Data: < > F0 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B720E74DA0, 16 bytes long.
Data: < > C8 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B720E74DF0, 16 bytes long.
Data: < > A0 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B720E75200, 16 bytes long.
Data: <x > 78 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B720E74B20, 16 bytes long.
Data: <P > 50 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B720E74440, 16 bytes long.
Data: <( > 28 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B720E6FA20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001B720E751B0, 16 bytes long.
Data: < > 00 B3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B720E5B300, 320 bytes long.
Data: < Q > B0 51 E7 20 B7 01 00 00 20 FA E6 20 B7 01 00 00
{273} normal block at 0x000001B720E748F0, 16 bytes long.
Data: < Y > A0 59 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B720E75160, 16 bytes long.
Data: <xY > 78 59 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B720E6FBA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001B720E74850, 16 bytes long.
Data: <PY > 50 59 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B720E6F120, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001B720E74BC0, 16 bytes long.
Data: < X > 98 58 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B720E74AD0, 16 bytes long.
Data: <pX > 70 58 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B720E748A0, 16 bytes long.
Data: <HX > 48 58 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B720E74E90, 16 bytes long.
Data: < X > 20 58 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B720E75110, 16 bytes long.
Data: < W > F8 57 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B720E74580, 16 bytes long.
Data: < W > D0 57 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B720E750C0, 16 bytes long.
Data: < > 90 CC E6 20 B7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B720E6CC90, 40 bytes long.
Data: < P pB > C0 50 E7 20 B7 01 00 00 70 42 E7 20 B7 01 00 00
{259} normal block at 0x000001B720E74FD0, 16 bytes long.
Data: < W > B0 57 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B720E75020, 16 bytes long.
Data: < W > 88 57 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B720E6F540, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001B720E74F80, 16 bytes long.
Data: <`W > 60 57 E7 20 B7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B720E75760, 992 bytes long.
Data: < O @ > 80 4F E7 20 B7 01 00 00 40 F5 E6 20 B7 01 00 00
{91} normal block at 0x000001B720E6F720, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001B720E6DDB0, 16 bytes long.
Data: <@ > 40 D3 E5 20 B7 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001B720E5D340, 40 bytes long.
Data: < > B0 DD E6 20 B7 01 00 00 20 F7 E6 20 B7 01 00 00
{68} normal block at 0x000001B720E6E5D0, 16 bytes long.
Data: < H} > 80 EA 48 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B720E6ECB0, 16 bytes long.
Data: <@ H} > 40 E9 48 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B720E6E940, 16 bytes long.
Data: < WE} > F8 57 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B720E6DE50, 16 bytes long.
Data: < WE} > D8 57 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B720E6EC10, 16 bytes long.
Data: <P E} > 50 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B720E6E990, 16 bytes long.
Data: <0 E} > 30 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B720E6EA30, 16 bytes long.
Data: < E} > E0 02 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B720E6EC60, 16 bytes long.
Data: < E} > 10 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B720E6E800, 16 bytes long.
Data: <p E} > 70 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B720E6E8A0, 16 bytes long.
Data: < C} > 18 C0 43 7D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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