Task 38677411
| Name | test_395-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6872_0 |
| Workunit | 31619284 |
| Created | 26 Oct 2026, 14:17:32 UTC |
| Sent | 26 Oct 2026, 14:17:34 UTC |
| Report deadline | 31 Oct 2026, 14:17:34 UTC |
| Received | 26 Oct 2026, 14:37:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 19 min 9 sec |
| CPU time | 18 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.38 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:18:18 (37860): wrapper (7.9.26016): starting
15:18:18 (37860): 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
15:18:19 (37860): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:18:19 (37860): 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\1\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\1\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
15:36:56 (37860): C:/Windows/system32/cmd.exe exited; CPU time 1124.234375
15:36:56 (37860): 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: 23647821 bytes.
Dumping objects ->
{3835519} normal block at 0x0000019739905D10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x0000019739905A70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x0000019739906480, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x0000019739905760, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x0000019739905B50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x000001973990E190, 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) : {3835431} normal block at 0x0000019737B7DE50, 8 bytes long.
Data: < ú7— > 00 00 FA 37 97 01 00 00
{3833967} normal block at 0x0000019737B7DC20, 8 bytes long.
Data: <àF›9— > E0 46 9B 39 97 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000019737B81E90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019737B76630, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000019737B85C70, 16 bytes long.
Data: < o¸7— > 08 6F B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019737B85E00, 16 bytes long.
Data: <àn¸7— > E0 6E B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019737B7F7C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000019737B868F0, 16 bytes long.
Data: <¸n¸7— > B8 6E B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019737B86800, 16 bytes long.
Data: < n¸7— > 90 6E B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019737B86120, 16 bytes long.
Data: <hn¸7— > 68 6E B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019737B86850, 16 bytes long.
Data: <@n¸7— > 40 6E B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019737B842E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000019737B86490, 16 bytes long.
Data: <(ô¶7— > 28 F4 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019737B7FD60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000019737B86AD0, 16 bytes long.
Data: < ô¶7— > 00 F4 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019737B85C20, 16 bytes long.
Data: <Øó¶7— > D8 F3 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019737B86B70, 16 bytes long.
Data: <°ó¶7— > B0 F3 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019737B866C0, 16 bytes long.
Data: < ó¶7— > 88 F3 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019737B86A30, 16 bytes long.
Data: <`ó¶7— > 60 F3 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019737B85F40, 16 bytes long.
Data: <8ó¶7— > 38 F3 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019737B7FD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000019737B85E50, 16 bytes long.
Data: < ó¶7— > 10 F3 B6 37 97 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019737B6F310, 320 bytes long.
Data: <P^¸7— ý·7— > 50 5E B8 37 97 01 00 00 00 FD B7 37 97 01 00 00
{279} normal block at 0x0000019737B85EA0, 16 bytes long.
Data: < n¸7— > 20 6E B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019737B86620, 16 bytes long.
Data: <øm¸7— > F8 6D B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019737B7FE80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000019737B86760, 16 bytes long.
Data: <Ðm¸7— > D0 6D B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019737B7FB20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000019737B85D10, 16 bytes long.
Data: < m¸7— > 18 6D B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019737B85D60, 16 bytes long.
Data: <ðl¸7— > F0 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019737B865D0, 16 bytes long.
Data: <Èl¸7— > C8 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019737B867B0, 16 bytes long.
Data: < l¸7— > A0 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019737B86530, 16 bytes long.
Data: <xl¸7— > 78 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019737B864E0, 16 bytes long.
Data: <Pl¸7— > 50 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019737B86A80, 16 bytes long.
Data: < E¸7— > 80 45 B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019737B84580, 40 bytes long.
Data: < j¸7— á 9— > 80 6A B8 37 97 01 00 00 90 E1 90 39 97 01 00 00
{265} normal block at 0x0000019737B868A0, 16 bytes long.
Data: <0l¸7— > 30 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019737B85FE0, 16 bytes long.
Data: < l¸7— > 08 6C B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019737B80000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000019737B869E0, 16 bytes long.
Data: <àk¸7— > E0 6B B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019737B86BE0, 992 bytes long.
Data: <ài¸7— ¸7— > E0 69 B8 37 97 01 00 00 00 00 B8 37 97 01 00 00
{97} normal block at 0x0000019737B7F5E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000019737B7DC70, 16 bytes long.
Data: <0D¸7— > 30 44 B8 37 97 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000019737B84430, 40 bytes long.
Data: <pÜ·7— àõ·7— > 70 DC B7 37 97 01 00 00 E0 F5 B7 37 97 01 00 00
{74} normal block at 0x0000019737B7DB80, 16 bytes long.
Data: < êT’ö > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019737B7D8B0, 16 bytes long.
Data: <@éT’ö > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019737B7D900, 16 bytes long.
Data: <øWQ’ö > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019737B7E260, 16 bytes long.
Data: <ØWQ’ö > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019737B7E350, 16 bytes long.
Data: <P Q’ö > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019737B7E1C0, 16 bytes long.
Data: <0 Q’ö > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019737B7E170, 16 bytes long.
Data: <à Q’ö > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019737B7E710, 16 bytes long.
Data: < Q’ö > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019737B7E620, 16 bytes long.
Data: <p Q’ö > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019737B7E580, 16 bytes long.
Data: < ÀO’ö > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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