Task 38684094
| Name | test_154-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5883_0 |
| Workunit | 31625619 |
| Created | 27 Oct 2026, 14:41:43 UTC |
| Sent | 27 Oct 2026, 14:41:48 UTC |
| Report deadline | 1 Nov 2026, 14:41:48 UTC |
| Received | 28 Oct 2026, 8:01:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 13 min 2 sec |
| CPU time | 12 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 107,364.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.61 MB |
| Peak swap size | 13.24 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:48:49 (27588): wrapper (7.9.26016): starting
15:48:49 (27588): 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
15:48:50 (27588): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:48:50 (27588): 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
16:01:19 (27588): C:/Windows/system32/cmd.exe exited; CPU time 742.984375
16:01:19 (27588): 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: 12642255 bytes.
Dumping objects ->
{3835687} normal block at 0x000001ED247AA2F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835676} normal block at 0x000001ED247AA440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835665} normal block at 0x000001ED247AA0C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835654} normal block at 0x000001ED247AA750, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835643} normal block at 0x000001ED247A9E90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835612} normal block at 0x000001ED26828850, 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) : {3835599} normal block at 0x000001ED2477D740, 8 bytes long.
Data: < q$ > 00 00 71 24 ED 01 00 00
{3834089} normal block at 0x000001ED2477DDD0, 8 bytes long.
Data: < D & > A0 44 88 26 ED 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001ED24780CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001ED24776990, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000001ED24787220, 16 bytes long.
Data: < xx$ > D8 78 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001ED24787090, 16 bytes long.
Data: < xx$ > B0 78 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001ED2477EC50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000001ED24786F50, 16 bytes long.
Data: < xx$ > 88 78 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001ED24786AF0, 16 bytes long.
Data: <`xx$ > 60 78 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001ED24786C30, 16 bytes long.
Data: <8xx$ > 38 78 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001ED24786DC0, 16 bytes long.
Data: < xx$ > 10 78 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001ED24783D20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000001ED24786D70, 16 bytes long.
Data: <( v$ > 28 B7 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED2477F490, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000001ED24786D20, 16 bytes long.
Data: < v$ > 00 B7 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ED24786FF0, 16 bytes long.
Data: < v$ > D8 B6 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ED24786B90, 16 bytes long.
Data: < v$ > B0 B6 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED24786BE0, 16 bytes long.
Data: < v$ > 88 B6 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ED24786FA0, 16 bytes long.
Data: <` v$ > 60 B6 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED24786F00, 16 bytes long.
Data: <8 v$ > 38 B6 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED2477F910, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000001ED24786CD0, 16 bytes long.
Data: < v$ > 10 B6 76 24 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED2476B610, 320 bytes long.
Data: < lx$ w$ > D0 6C 78 24 ED 01 00 00 10 F9 77 24 ED 01 00 00
{284} normal block at 0x000001ED24786AA0, 16 bytes long.
Data: < wx$ > F0 77 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ED247866E0, 16 bytes long.
Data: < wx$ > C8 77 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED2477F3D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000001ED24787270, 16 bytes long.
Data: < wx$ > A0 77 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED2477F430, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000001ED24787540, 16 bytes long.
Data: < vx$ > E8 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ED24786E60, 16 bytes long.
Data: < vx$ > C0 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ED24787040, 16 bytes long.
Data: < vx$ > 98 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ED24786A00, 16 bytes long.
Data: <pvx$ > 70 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED247867D0, 16 bytes long.
Data: <Hvx$ > 48 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ED24786E10, 16 bytes long.
Data: < vx$ > 20 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED24786EB0, 16 bytes long.
Data: < 9x$ > A0 39 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ED247839A0, 40 bytes long.
Data: < nx$ P & > B0 6E 78 24 ED 01 00 00 50 88 82 26 ED 01 00 00
{270} normal block at 0x000001ED24786B40, 16 bytes long.
Data: < vx$ > 00 76 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ED24786C80, 16 bytes long.
Data: < ux$ > D8 75 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED2477FA30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000001ED247873B0, 16 bytes long.
Data: < ux$ > B0 75 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ED247875B0, 992 bytes long.
Data: < sx$ 0 w$ > B0 73 78 24 ED 01 00 00 30 FA 77 24 ED 01 00 00
{102} normal block at 0x000001ED2477F370, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000001ED2477D6A0, 16 bytes long.
Data: <`;x$ > 60 3B 78 24 ED 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001ED24783B60, 40 bytes long.
Data: < w$ p w$ > A0 D6 77 24 ED 01 00 00 70 F3 77 24 ED 01 00 00
{77} normal block at 0x000001ED2477E0A0, 16 bytes long.
Data: < Z > 80 EA 5A D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001ED2477DC40, 16 bytes long.
Data: <@ Z > 40 E9 5A D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001ED2477D790, 16 bytes long.
Data: < WW > F8 57 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001ED2477D830, 16 bytes long.
Data: < WW > D8 57 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001ED2477DBF0, 16 bytes long.
Data: <P W > 50 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001ED2477DBA0, 16 bytes long.
Data: <0 W > 30 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001ED2477DF60, 16 bytes long.
Data: < W > E0 02 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ED2477D920, 16 bytes long.
Data: < W > 10 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ED2477D5B0, 16 bytes long.
Data: <p W > 70 04 57 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ED2477D330, 16 bytes long.
Data: < U > 18 C0 55 D3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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