Task 38676703
| Name | test_858-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7155_0 |
| Workunit | 31618604 |
| Created | 26 Oct 2026, 12:05:11 UTC |
| Sent | 26 Oct 2026, 12:05:30 UTC |
| Report deadline | 31 Oct 2026, 12:05:30 UTC |
| Received | 26 Oct 2026, 12:45:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 19 min 28 sec |
| CPU time | 18 min 42 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 | 729.02 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:25:38 (41876): wrapper (7.9.26016): starting
13:25:38 (41876): 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
13:25:39 (41876): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:25:39 (41876): 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
13:44:34 (41876): C:/Windows/system32/cmd.exe exited; CPU time 1122.828125
13:44:34 (41876): 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: 24130071 bytes.
Dumping objects ->
{3835519} normal block at 0x000001F48C8A5DF0, 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 0x000001F48C8A6330, 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 0x000001F48C8A6250, 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 0x000001F48C8A5D80, 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 0x000001F48C8A5760, 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 0x000001F48C8AD910, 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 0x000001F48AA6E490, 8 bytes long.
Data: < ýŠô > 00 00 FD 8A F4 01 00 00
{3833967} normal block at 0x000001F48AA6E440, 8 bytes long.
Data: <àF•Œô > E0 46 95 8C F4 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F48AA72250, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F48AA663F0, 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 0x000001F48AA76800, 16 bytes long.
Data: < o§Šô > 08 6F A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F48AA763F0, 16 bytes long.
Data: <àn§Šô > E0 6E A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F48AA70180, 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 0x000001F48AA76490, 16 bytes long.
Data: <¸n§Šô > B8 6E A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F48AA768F0, 16 bytes long.
Data: < n§Šô > 90 6E A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F48AA76260, 16 bytes long.
Data: <hn§Šô > 68 6E A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F48AA768A0, 16 bytes long.
Data: <@n§Šô > 40 6E A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F48AA742E0, 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 0x000001F48AA76170, 16 bytes long.
Data: <(ô¥Šô > 28 F4 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F48AA6F820, 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 0x000001F48AA76210, 16 bytes long.
Data: < ô¥Šô > 00 F4 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F48AA76030, 16 bytes long.
Data: <Øó¥Šô > D8 F3 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F48AA75EA0, 16 bytes long.
Data: <°ó¥Šô > B0 F3 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F48AA763A0, 16 bytes long.
Data: < ó¥Šô > 88 F3 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F48AA75FE0, 16 bytes long.
Data: <`ó¥Šô > 60 F3 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F48AA767B0, 16 bytes long.
Data: <8ó¥Šô > 38 F3 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F48AA700C0, 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 0x000001F48AA76AD0, 16 bytes long.
Data: < ó¥Šô > 10 F3 A5 8A F4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F48AA5F310, 320 bytes long.
Data: <Ðj§Šô À §Šô > D0 6A A7 8A F4 01 00 00 C0 00 A7 8A F4 01 00 00
{279} normal block at 0x000001F48AA75E50, 16 bytes long.
Data: < n§Šô > 20 6E A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F48AA76080, 16 bytes long.
Data: <øm§Šô > F8 6D A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F48AA6FCA0, 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 0x000001F48AA76A80, 16 bytes long.
Data: <Ðm§Šô > D0 6D A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F48AA6F6A0, 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 0x000001F48AA76990, 16 bytes long.
Data: < m§Šô > 18 6D A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F48AA76120, 16 bytes long.
Data: <ðl§Šô > F0 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F48AA75DB0, 16 bytes long.
Data: <Èl§Šô > C8 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F48AA766C0, 16 bytes long.
Data: < l§Šô > A0 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F48AA76760, 16 bytes long.
Data: <xl§Šô > 78 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F48AA76440, 16 bytes long.
Data: <Pl§Šô > 50 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F48AA75EF0, 16 bytes long.
Data: < A§Šô > 20 41 A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F48AA74120, 40 bytes long.
Data: <ð^§Šô ÙŠŒô > F0 5E A7 8A F4 01 00 00 10 D9 8A 8C F4 01 00 00
{265} normal block at 0x000001F48AA75F90, 16 bytes long.
Data: <0l§Šô > 30 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F48AA76850, 16 bytes long.
Data: < l§Šô > 08 6C A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F48AA6F8E0, 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 0x000001F48AA76580, 16 bytes long.
Data: <àk§Šô > E0 6B A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F48AA76BE0, 992 bytes long.
Data: < e§Šô àø¦Šô > 80 65 A7 8A F4 01 00 00 E0 F8 A6 8A F4 01 00 00
{97} normal block at 0x000001F48AA70420, 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 0x000001F48AA6DB30, 16 bytes long.
Data: < D§Šô > A0 44 A7 8A F4 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001F48AA744A0, 40 bytes long.
Data: <0Û¦Šô §Šô > 30 DB A6 8A F4 01 00 00 20 04 A7 8A F4 01 00 00
{74} normal block at 0x000001F48AA6E170, 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 0x000001F48AA6D8B0, 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 0x000001F48AA6DBD0, 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 0x000001F48AA6E0D0, 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 0x000001F48AA6D810, 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 0x000001F48AA6E530, 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 0x000001F48AA6E260, 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 0x000001F48AA6D7C0, 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 0x000001F48AA6DE00, 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 0x000001F48AA6DA40, 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>
]]>
©2026 Universitat Pompeu Fabra