Task 38683083
| Name | test_117-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9487_0 |
| Workunit | 31624663 |
| Created | 27 Oct 2026, 10:22:38 UTC |
| Sent | 27 Oct 2026, 10:22:44 UTC |
| Report deadline | 1 Nov 2026, 10:22:44 UTC |
| Received | 27 Oct 2026, 11:06:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 42 min 8 sec |
| CPU time | 40 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.16 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:24:11 (3176): wrapper (7.9.26016): starting
19:24:11 (3176): 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
19:24:12 (3176): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:24:12 (3176): 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\2\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\2\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
20:05:22 (3176): C:/Windows/system32/cmd.exe exited; CPU time 2404.203125
20:05:22 (3176): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 47086713 bytes.
Dumping objects ->
{3835334} normal block at 0x000001DF6B9C5A10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835323} normal block at 0x000001DF6B9C5930, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835312} normal block at 0x000001DF6B9C5CB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835301} normal block at 0x000001DF6B9C58C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835290} normal block at 0x000001DF6B9C5AF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835259} normal block at 0x000001DF6DB02D40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x000001DF6BA0F880, 140 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) : {3835245} normal block at 0x000001DF6B9BEAD0, 8 bytes long.
Data: < Em > 00 00 45 6D DF 01 00 00
{3834646} normal block at 0x000001DF6BA0F200, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834061} normal block at 0x000001DF6B9BE8F0, 8 bytes long.
Data: <P: k > 50 3A 9C 6B DF 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001DF6B9BFD30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DF6B9B5750, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001DF6B9C43E0, 16 bytes long.
Data: < V k > 98 56 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DF6B9C4340, 16 bytes long.
Data: <pV k > 70 56 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DF6B9BF200, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001DF6B9C4980, 16 bytes long.
Data: <HV k > 48 56 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DF6B9C4E30, 16 bytes long.
Data: < V k > 20 56 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DF6B9C4C50, 16 bytes long.
Data: < U k > F8 55 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DF6B9C50B0, 16 bytes long.
Data: < U k > D0 55 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DF6B9C5E00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001DF6B9C4700, 16 bytes long.
Data: < k > 08 B5 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DF6B9BF5C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001DF6B9C4430, 16 bytes long.
Data: < k > E0 B4 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DF6B9C4AC0, 16 bytes long.
Data: < k > B8 B4 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DF6B9C4930, 16 bytes long.
Data: < k > 90 B4 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DF6B9C4890, 16 bytes long.
Data: <h k > 68 B4 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DF6B9C47A0, 16 bytes long.
Data: <@ k > 40 B4 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DF6B9C4390, 16 bytes long.
Data: < k > 18 B4 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DF6B9BF980, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001DF6B9C46B0, 16 bytes long.
Data: < k > F0 B3 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DF6B9AB3F0, 320 bytes long.
Data: < F k k > B0 46 9C 6B DF 01 00 00 80 F9 9B 6B DF 01 00 00
{277} normal block at 0x000001DF6B9C4FC0, 16 bytes long.
Data: < U k > B0 55 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DF6B9C4A70, 16 bytes long.
Data: < U k > 88 55 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DF6B9BF080, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001DF6B9C4B10, 16 bytes long.
Data: <`U k > 60 55 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DF6B9BF920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001DF6B9C4E80, 16 bytes long.
Data: < T k > A8 54 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DF6B9C4CF0, 16 bytes long.
Data: < T k > 80 54 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DF6B9C5060, 16 bytes long.
Data: <XT k > 58 54 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DF6B9C4A20, 16 bytes long.
Data: <0T k > 30 54 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DF6B9C5010, 16 bytes long.
Data: < T k > 08 54 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DF6B9C4660, 16 bytes long.
Data: < S k > E0 53 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DF6B9C4610, 16 bytes long.
Data: <` k > 60 E5 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DF6B9AE560, 40 bytes long.
Data: < F k @- m > 10 46 9C 6B DF 01 00 00 40 2D B0 6D DF 01 00 00
{263} normal block at 0x000001DF6B9C42A0, 16 bytes long.
Data: < S k > C0 53 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DF6B9C45C0, 16 bytes long.
Data: < S k > 98 53 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DF6B9BED80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001DF6B9C4520, 16 bytes long.
Data: <pS k > 70 53 9C 6B DF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DF6B9C5370, 992 bytes long.
Data: < E k k > 20 45 9C 6B DF 01 00 00 80 ED 9B 6B DF 01 00 00
{95} normal block at 0x000001DF6B9BF560, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001DF6B9BEA80, 16 bytes long.
Data: <@ k > 40 EE 9A 6B DF 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001DF6B9AEE40, 40 bytes long.
Data: < k ` k > 80 EA 9B 6B DF 01 00 00 60 F5 9B 6B DF 01 00 00
{70} normal block at 0x000001DF6B9BE850, 16 bytes long.
Data: < g > 80 EA DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DF6B9BE620, 16 bytes long.
Data: <@ g > 40 E9 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DF6B9BE940, 16 bytes long.
Data: < W g > F8 57 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DF6B9BE260, 16 bytes long.
Data: < W g > D8 57 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DF6B9BE1C0, 16 bytes long.
Data: <P g > 50 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DF6B9BE800, 16 bytes long.
Data: <0 g > 30 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DF6B9BE7B0, 16 bytes long.
Data: < g > E0 02 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DF6B9BE4E0, 16 bytes long.
Data: < g > 10 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DF6B9BE120, 16 bytes long.
Data: <p g > 70 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DF6B9BE5D0, 16 bytes long.
Data: < g > 18 C0 D8 67 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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