Task 38660904
| Name | test_470-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND4702_1 |
| Workunit | 31604185 |
| Created | 24 Oct 2026, 14:54:41 UTC |
| Sent | 24 Oct 2026, 15:03:30 UTC |
| Report deadline | 29 Oct 2026, 15:03:30 UTC |
| Received | 25 Oct 2026, 9:52:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 48 min 46 sec |
| CPU time | 36 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 685.09 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.92 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:09:49 (17484): wrapper (7.9.26016): starting
17:09:49 (17484): 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
17:09:51 (17484): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:09:51 (17484): 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.
20:42:03 (12588): wrapper (7.9.26016): starting
20:42:03 (12588): 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\0\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
21:08:19 (12588): C:/Windows/system32/cmd.exe exited; CPU time 1077.500000
21:08:19 (12588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22095184 bytes.
Dumping objects ->
{1614} normal block at 0x000001EB6DDA6520, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000001EB6DDA69F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000001EB6DDA6600, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000001EB6DDA6AD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000001EB6DDA6980, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000001EB6DDA1720, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x000001EB6DD8EFE0, 102 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) : {1525} normal block at 0x000001EB6DDA72E0, 8 bytes long.
Data: < Bn > 00 00 42 6E EB 01 00 00
{906} normal block at 0x000001EB6DD8E690, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000001EB6DDA7380, 8 bytes long.
Data: <P m > 50 82 DA 6D EB 01 00 00
{295} normal block at 0x000001EB6DD98320, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001EB6DDA7BA0, 16 bytes long.
Data: <Hq m > 48 71 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EB6DDA73D0, 16 bytes long.
Data: < q m > 20 71 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EB6DD9F6C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001EB6DDA7B50, 16 bytes long.
Data: < p m > F8 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EB6DDA7B00, 16 bytes long.
Data: < p m > D0 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EB6DDA7AB0, 16 bytes long.
Data: < p m > A8 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EB6DDA7FB0, 16 bytes long.
Data: < p m > 80 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EB6DDA6910, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001EB6DDA7D30, 16 bytes long.
Data: < m > 08 B5 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EB6DD9F8A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001EB6DDA76A0, 16 bytes long.
Data: < m > E0 B4 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EB6DDA7790, 16 bytes long.
Data: < m > B8 B4 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EB6DDA7880, 16 bytes long.
Data: < m > 90 B4 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EB6DDA7650, 16 bytes long.
Data: <h m > 68 B4 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EB6DDA7A60, 16 bytes long.
Data: <@ m > 40 B4 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EB6DDA7DD0, 16 bytes long.
Data: < m > 18 B4 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EB6DDA0200, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001EB6DDA7F60, 16 bytes long.
Data: < m > F0 B3 D9 6D EB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EB6DD9B3F0, 320 bytes long.
Data: <` m m > 60 7F DA 6D EB 01 00 00 00 02 DA 6D EB 01 00 00
{274} normal block at 0x000001EB6DDA8140, 16 bytes long.
Data: <`p m > 60 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EB6DDA7D80, 16 bytes long.
Data: <8p m > 38 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EB6DD9FB40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001EB6DDA80A0, 16 bytes long.
Data: < p m > 10 70 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EB6DDA01A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001EB6DDA7CE0, 16 bytes long.
Data: <Xo m > 58 6F DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EB6DDA7C40, 16 bytes long.
Data: <0o m > 30 6F DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EB6DDA80F0, 16 bytes long.
Data: < o m > 08 6F DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EB6DDA76F0, 16 bytes long.
Data: < n m > E0 6E DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EB6DDA8000, 16 bytes long.
Data: < n m > B8 6E DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EB6DDA2140, 16 bytes long.
Data: < n m > 90 6E DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EB6DDA1E70, 16 bytes long.
Data: < h m > A0 68 DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EB6DDA68A0, 40 bytes long.
Data: <p m m > 70 1E DA 6D EB 01 00 00 20 17 DA 6D EB 01 00 00
{260} normal block at 0x000001EB6DDA2B40, 16 bytes long.
Data: <pn m > 70 6E DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EB6DDA2AF0, 16 bytes long.
Data: <Hn m > 48 6E DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EB6DD9FC60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001EB6DDA21E0, 16 bytes long.
Data: < n m > 20 6E DA 6D EB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EB6DDA6E20, 992 bytes long.
Data: < ! m ` m > E0 21 DA 6D EB 01 00 00 60 FC D9 6D EB 01 00 00
{92} normal block at 0x000001EB6DD9FFC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001EB6DDA2A50, 16 bytes long.
Data: < m > A0 DF D8 6D EB 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001EB6DD8DFA0, 40 bytes long.
Data: <P* m m > 50 2A DA 6D EB 01 00 00 C0 FF D9 6D EB 01 00 00
{69} normal block at 0x000001EB6DDA2AA0, 16 bytes long.
Data: < ? > 80 EA 3F 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EB6DDA1E20, 16 bytes long.
Data: <@ ? > 40 E9 3F 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EB6DDA25F0, 16 bytes long.
Data: < W< > F8 57 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EB6DDA2960, 16 bytes long.
Data: < W< > D8 57 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EB6DDA2C80, 16 bytes long.
Data: <P < > 50 04 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EB6DDA28C0, 16 bytes long.
Data: <0 < > 30 04 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EB6DDA2190, 16 bytes long.
Data: < < > E0 02 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EB6DDA1DD0, 16 bytes long.
Data: < < > 10 04 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EB6DDA2690, 16 bytes long.
Data: <p < > 70 04 3C 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EB6DDA2C30, 16 bytes long.
Data: < : > 18 C0 3A 92 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra