Task 38675787
| Name | test_686-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9541_0 |
| Workunit | 31617737 |
| Created | 26 Oct 2026, 9:17:50 UTC |
| Sent | 26 Oct 2026, 9:17:53 UTC |
| Report deadline | 31 Oct 2026, 9:17:53 UTC |
| Received | 26 Oct 2026, 11:45:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613000 |
| Run time | 1 hours 5 min 48 sec |
| CPU time | 1 hours 5 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 3,094.79 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 659.09 MB |
| Peak swap size | 2.17 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:21:45 (9656): wrapper (7.9.26016): starting
16:21:45 (9656): 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
16:22:09 (9656): Library/usr/bin/tar.exe exited; CPU time 0.218750
16:22:09 (9656): 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\3\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\3\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
18:41:00 (21856): wrapper (7.9.26016): starting
18:41:00 (21856): 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\3\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
18:44:40 (21856): C:/Windows/system32/cmd.exe exited; CPU time 85.671875
18:44:40 (21856): 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: 3199494 bytes.
Dumping objects ->
{1560} normal block at 0x0000014D23B0DC40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x0000014D23B0D930, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x0000014D23B0D850, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1527} normal block at 0x0000014D23B0D5B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1516} normal block at 0x0000014D23B0DBD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1485} normal block at 0x0000014D23B08B90, 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) : {1472} normal block at 0x0000014D23B15B10, 8 bytes long.
Data: < #M > 00 00 AC 23 4D 01 00 00
{307} normal block at 0x0000014D23B14DF0, 8 bytes long.
Data: < r #M > A0 72 B1 23 4D 01 00 00
{298} normal block at 0x0000014D23AF6A50, 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 0x0000014D23B159D0, 16 bytes long.
Data: < q #M > A8 71 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000014D23B15070, 16 bytes long.
Data: < q #M > 80 71 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000014D23B0CAD0, 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 0x0000014D23B156B0, 16 bytes long.
Data: <Xq #M > 58 71 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000014D23B155C0, 16 bytes long.
Data: <0q #M > 30 71 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000014D23B15020, 16 bytes long.
Data: < q #M > 08 71 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014D23B14DA0, 16 bytes long.
Data: < p #M > E0 70 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000014D23B0DB60, 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 0x0000014D23B15AC0, 16 bytes long.
Data: < i #M > E8 69 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000014D23B0CF50, 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 0x0000014D23B15570, 16 bytes long.
Data: < i #M > C0 69 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000014D23B14FD0, 16 bytes long.
Data: < i #M > 98 69 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014D23B15840, 16 bytes long.
Data: <pi #M > 70 69 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014D23B154D0, 16 bytes long.
Data: <Hi #M > 48 69 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014D23B15C00, 16 bytes long.
Data: < i #M > 20 69 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014D23B15660, 16 bytes long.
Data: < h #M > F8 68 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000014D23B0C8F0, 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 0x0000014D23B14D50, 16 bytes long.
Data: < h #M > D0 68 AF 23 4D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000014D23AF68D0, 320 bytes long.
Data: <PM #M #M > 50 4D B1 23 4D 01 00 00 F0 C8 B0 23 4D 01 00 00
{277} normal block at 0x0000014D23B15480, 16 bytes long.
Data: < p #M > C0 70 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014D23B15110, 16 bytes long.
Data: < p #M > 98 70 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014D23B0D190, 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 0x0000014D23B14F30, 16 bytes long.
Data: <pp #M > 70 70 B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014D23B0C6B0, 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 0x0000014D23B15430, 16 bytes long.
Data: < o #M > B8 6F B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014D23B15980, 16 bytes long.
Data: < o #M > 90 6F B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014D23B15BB0, 16 bytes long.
Data: <ho #M > 68 6F B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014D23B153E0, 16 bytes long.
Data: <@o #M > 40 6F B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000014D23B150C0, 16 bytes long.
Data: < o #M > 18 6F B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014D23B14E40, 16 bytes long.
Data: < n #M > F0 6E B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000014D23B15340, 16 bytes long.
Data: <@ #M > 40 D5 B0 23 4D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014D23B0D540, 40 bytes long.
Data: <@S #M #M > 40 53 B1 23 4D 01 00 00 90 8B B0 23 4D 01 00 00
{263} normal block at 0x0000014D23B158E0, 16 bytes long.
Data: < n #M > D0 6E B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014D23B15750, 16 bytes long.
Data: < n #M > A8 6E B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014D23B0C9B0, 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 0x0000014D23B152F0, 16 bytes long.
Data: < n #M > 80 6E B1 23 4D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014D23B16E80, 992 bytes long.
Data: < R #M #M > F0 52 B1 23 4D 01 00 00 B0 C9 B0 23 4D 01 00 00
{95} normal block at 0x0000014D23B0CA10, 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 0x0000014D23B07850, 16 bytes long.
Data: < #M > E0 D7 B0 23 4D 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000014D23B0D7E0, 40 bytes long.
Data: <Px #M #M > 50 78 B0 23 4D 01 00 00 10 CA B0 23 4D 01 00 00
{72} normal block at 0x0000014D23B08070, 16 bytes long.
Data: < B > 80 EA 42 ED F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000014D23B08250, 16 bytes long.
Data: <@ B > 40 E9 42 ED F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000014D23B08520, 16 bytes long.
Data: < W? > F8 57 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000014D23B077B0, 16 bytes long.
Data: < W? > D8 57 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000014D23B08570, 16 bytes long.
Data: <P ? > 50 04 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000014D23B07760, 16 bytes long.
Data: <0 ? > 30 04 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000014D23B08020, 16 bytes long.
Data: < ? > E0 02 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000014D23B076C0, 16 bytes long.
Data: < ? > 10 04 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000014D23B07E90, 16 bytes long.
Data: <p ? > 70 04 3F ED F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000014D23B07670, 16 bytes long.
Data: < = > 18 C0 3D ED F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra