Task 38683382
| Name | test_117-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9487_0 |
| Workunit | 31624942 |
| Created | 27 Oct 2026, 11:35:31 UTC |
| Sent | 27 Oct 2026, 11:35:35 UTC |
| Report deadline | 1 Nov 2026, 11:35:35 UTC |
| Received | 27 Oct 2026, 11:59:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 22 min 56 sec |
| CPU time | 21 min |
| 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 | 734.53 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:36:53 (11640): wrapper (7.9.26016): starting
20:36:53 (11640): 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
20:36:54 (11640): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:36:54 (11640): 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
20:58:57 (11640): C:/Windows/system32/cmd.exe exited; CPU time 1260.625000
20:58:57 (11640): 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: 26389255 bytes.
Dumping objects ->
{3835334} normal block at 0x00000235D51C6490, 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 0x00000235D51C61F0, 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 0x00000235D51C60A0, 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 0x00000235D51C6570, 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 0x00000235D51C6110, 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 0x00000235D73AB160, 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 0x00000235D520DA20, 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 0x00000235D51BEF90, 8 bytes long.
Data: < q 5 > 00 00 71 D5 35 02 00 00
{3834646} normal block at 0x00000235D520DC90, 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 0x00000235D51BF080, 8 bytes long.
Data: <0 5 > 30 97 1E D5 35 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000235D51C08D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000235D51B6B10, 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 0x00000235D51C5220, 16 bytes long.
Data: <(] 5 > 28 5D 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000235D51C4A50, 16 bytes long.
Data: < ] 5 > 00 5D 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000235D51BF860, 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 0x00000235D51C49B0, 16 bytes long.
Data: < \ 5 > D8 5C 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000235D51C4F50, 16 bytes long.
Data: < \ 5 > B0 5C 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000235D51C4960, 16 bytes long.
Data: < \ 5 > 88 5C 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000235D51C51D0, 16 bytes long.
Data: <`\ 5 > 60 5C 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000235D51C5E70, 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 0x00000235D51C4FF0, 16 bytes long.
Data: < 5 > 08 B5 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000235D51C0040, 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 0x00000235D51C4910, 16 bytes long.
Data: < 5 > E0 B4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000235D51C5360, 16 bytes long.
Data: < 5 > B8 B4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000235D51C46E0, 16 bytes long.
Data: < 5 > 90 B4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000235D51C5130, 16 bytes long.
Data: <h 5 > 68 B4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000235D51C4B90, 16 bytes long.
Data: <@ 5 > 40 B4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000235D51C5090, 16 bytes long.
Data: < 5 > 18 B4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000235D51C00A0, 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 0x00000235D51C4870, 16 bytes long.
Data: < 5 > F0 B3 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000235D51AB3F0, 320 bytes long.
Data: <pH 5 5 > 70 48 1C D5 35 02 00 00 A0 00 1C D5 35 02 00 00
{277} normal block at 0x00000235D51C4690, 16 bytes long.
Data: <@\ 5 > 40 5C 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000235D51C4FA0, 16 bytes long.
Data: < \ 5 > 18 5C 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000235D51BFC80, 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 0x00000235D51C4780, 16 bytes long.
Data: < [ 5 > F0 5B 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000235D51C01C0, 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 0x00000235D51C5270, 16 bytes long.
Data: <8[ 5 > 38 5B 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000235D51C4A00, 16 bytes long.
Data: < [ 5 > 10 5B 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000235D51C50E0, 16 bytes long.
Data: < Z 5 > E8 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000235D51C4AA0, 16 bytes long.
Data: < Z 5 > C0 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000235D51C5040, 16 bytes long.
Data: < Z 5 > 98 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000235D51C4F00, 16 bytes long.
Data: <pZ 5 > 70 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000235D51C48C0, 16 bytes long.
Data: <@ 5 > 40 D3 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000235D51AD340, 40 bytes long.
Data: < H 5 ` : 5 > C0 48 1C D5 35 02 00 00 60 B1 3A D7 35 02 00 00
{263} normal block at 0x00000235D51C4EB0, 16 bytes long.
Data: <PZ 5 > 50 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000235D51C4640, 16 bytes long.
Data: <(Z 5 > 28 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000235D51BFEC0, 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 0x00000235D51C5180, 16 bytes long.
Data: < Z 5 > 00 5A 1C D5 35 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000235D51C5A00, 992 bytes long.
Data: < Q 5 5 > 80 51 1C D5 35 02 00 00 C0 FE 1B D5 35 02 00 00
{95} normal block at 0x00000235D51BFFE0, 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 0x00000235D51BED60, 16 bytes long.
Data: < 5 > F0 E4 1A D5 35 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000235D51AE4F0, 40 bytes long.
Data: <` 5 5 > 60 ED 1B D5 35 02 00 00 E0 FF 1B D5 35 02 00 00
{70} normal block at 0x00000235D51BF3F0, 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 0x00000235D51BEB80, 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 0x00000235D51BE770, 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 0x00000235D51BEE50, 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 0x00000235D51BF3A0, 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 0x00000235D51BF300, 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 0x00000235D51BE540, 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 0x00000235D51BED10, 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 0x00000235D51BF1C0, 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 0x00000235D51BE950, 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>
]]>
©2026 Universitat Pompeu Fabra