Task 38658647
| Name | test_289-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND2745_1 |
| Workunit | 31599343 |
| Created | 24 Oct 2026, 12:52:29 UTC |
| Sent | 24 Oct 2026, 14:11:23 UTC |
| Report deadline | 29 Oct 2026, 14:11:23 UTC |
| Received | 25 Oct 2026, 6:47:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652765 |
| Run time | 1 hours 23 min |
| CPU time | 1 hours 21 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.15 MB |
| Peak swap size | 12.75 GB |
| Peak disk usage | 3.54 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:04:20 (6616): wrapper (7.9.26016): starting
19:04:20 (6616): 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
19:04:24 (6616): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:04:24 (6616): 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.
07:29:51 (7392): wrapper (7.9.26016): starting
07:29:51 (7392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
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
07:46:54 (7392): C:/Windows/system32/cmd.exe exited; CPU time 998.859375
07:46:54 (7392): 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: 12057508 bytes.
Dumping objects ->
{1536} normal block at 0x00000255EDCF4A30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1525} normal block at 0x00000255EDCF4790, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1514} normal block at 0x00000255EDCF45D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1503} normal block at 0x00000255EDCF4CD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1492} normal block at 0x00000255EDCF4BF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1461} normal block at 0x00000255EDCDF2B0, 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) : {1448} normal block at 0x00000255EDCF5E20, 8 bytes long.
Data: < 9 U > 00 00 39 EE 55 02 00 00
{301} normal block at 0x00000255EDCF5D30, 8 bytes long.
Data: < e U > C0 65 CF ED 55 02 00 00
{292} normal block at 0x00000255EDCE5C50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000255EDCF56A0, 16 bytes long.
Data: < T U > B8 54 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000255EDCF6280, 16 bytes long.
Data: < T U > 90 54 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000255EDCEEC90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000255EDCF5C90, 16 bytes long.
Data: <hT U > 68 54 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000255EDCF62D0, 16 bytes long.
Data: <@T U > 40 54 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000255EDCF5AB0, 16 bytes long.
Data: < T U > 18 54 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000255EDCF5650, 16 bytes long.
Data: < S U > F0 53 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000255EDCF4C60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000255EDCF5B50, 16 bytes long.
Data: <( U > 28 EE CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000255EDCEEA50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000255EDCF6230, 16 bytes long.
Data: < U > 00 EE CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000255EDCF6050, 16 bytes long.
Data: < U > D8 ED CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000255EDCF5830, 16 bytes long.
Data: < U > B0 ED CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000255EDCF6410, 16 bytes long.
Data: < U > 88 ED CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000255EDCF6140, 16 bytes long.
Data: <` U > 60 ED CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000255EDCF6190, 16 bytes long.
Data: <8 U > 38 ED CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000255EDCEE990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000255EDCF5FB0, 16 bytes long.
Data: < U > 10 ED CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000255EDCDED10, 320 bytes long.
Data: < _ U U > B0 5F CF ED 55 02 00 00 90 E9 CE ED 55 02 00 00
{271} normal block at 0x00000255EDCF5F10, 16 bytes long.
Data: < S U > D0 53 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000255EDCF63C0, 16 bytes long.
Data: < S U > A8 53 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000255EDCEEC30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000255EDCF61E0, 16 bytes long.
Data: < S U > 80 53 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000255EDCEE4B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000255EDCF6000, 16 bytes long.
Data: < R U > C8 52 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000255EDCF6370, 16 bytes long.
Data: < R U > A0 52 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000255EDCF5E70, 16 bytes long.
Data: <xR U > 78 52 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000255EDCEF680, 16 bytes long.
Data: <PR U > 50 52 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000255EDCEF3B0, 16 bytes long.
Data: <(R U > 28 52 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000255EDCEF220, 16 bytes long.
Data: < R U > 00 52 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000255EDCF0080, 16 bytes long.
Data: < H U > E0 48 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000255EDCF48E0, 40 bytes long.
Data: < U U > 80 00 CF ED 55 02 00 00 B0 F2 CD ED 55 02 00 00
{257} normal block at 0x00000255EDCEF9F0, 16 bytes long.
Data: < Q U > E0 51 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000255EDCF0170, 16 bytes long.
Data: < Q U > B8 51 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000255EDCEE750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000255EDCF0030, 16 bytes long.
Data: < Q U > 90 51 CF ED 55 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000255EDCF5190, 992 bytes long.
Data: <0 U P U > 30 00 CF ED 55 02 00 00 50 E7 CE ED 55 02 00 00
{89} normal block at 0x00000255EDCEEDB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000255EDCEF6D0, 16 bytes long.
Data: < U > A0 C0 CD ED 55 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000255EDCDC0A0, 40 bytes long.
Data: < U U > D0 F6 CE ED 55 02 00 00 B0 ED CE ED 55 02 00 00
{66} normal block at 0x00000255EDCEF5E0, 16 bytes long.
Data: < Q > 80 EA 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000255EDCEF270, 16 bytes long.
Data: <@ Q > 40 E9 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000255EDCEFEA0, 16 bytes long.
Data: < WN > F8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000255EDCEF770, 16 bytes long.
Data: < WN > D8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000255EDCEF720, 16 bytes long.
Data: <P N > 50 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000255EDCEFE50, 16 bytes long.
Data: <0 N > 30 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000255EDCEFC20, 16 bytes long.
Data: < N > E0 02 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000255EDCEF400, 16 bytes long.
Data: < N > 10 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000255EDCEFB30, 16 bytes long.
Data: <p N > 70 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000255EDCEF310, 16 bytes long.
Data: < L > 18 C0 4C C3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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