Task 38682195
| Name | test_984-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7078_0 |
| Workunit | 31623825 |
| Created | 27 Oct 2026, 6:56:22 UTC |
| Sent | 27 Oct 2026, 6:56:23 UTC |
| Report deadline | 1 Nov 2026, 6:56:23 UTC |
| Received | 27 Oct 2026, 8:21:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627736 |
| Run time | 1 hours 23 min 49 sec |
| CPU time | 1 hours 22 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,258.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.04 MB |
| Peak swap size | 9.71 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:57:41 (25148): wrapper (7.9.26016): starting
01:57:41 (25148): 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
01:57:43 (25148): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:57:44 (25148): 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
03:20:25 (25148): C:/Windows/system32/cmd.exe exited; CPU time 4968.515625
03:20:25 (25148): 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: 91684587 bytes.
Dumping objects ->
{3835186} normal block at 0x00000223BA19C880, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x00000223B8404830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x00000223B8404750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835153} normal block at 0x00000223B8404980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835142} normal block at 0x00000223B84048A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835111} normal block at 0x00000223BA1E4320, 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) : {3835098} normal block at 0x00000223B83FEC40, 8 bytes long.
Data: < ¤¸# > 00 00 A4 B8 23 02 00 00
{3833959} normal block at 0x00000223B83FF0A0, 8 bytes long.
Data: <Ð;$º# > D0 3B 24 BA 23 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000223B8400E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000223B83F6060, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000223B8406020, 16 bytes long.
Data: < d@¸# > 08 64 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000223B8405670, 16 bytes long.
Data: <àc@¸# > E0 63 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000223B83FFDF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000223B84058F0, 16 bytes long.
Data: <¸c@¸# > B8 63 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000223B84053A0, 16 bytes long.
Data: < c@¸# > 90 63 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000223B84055D0, 16 bytes long.
Data: <hc@¸# > 68 63 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000223B8405120, 16 bytes long.
Data: <@c@¸# > 40 63 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000223B8404A60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000223B8405710, 16 bytes long.
Data: <Ø ?¸# > D8 8D 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000223B84000F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000223B8405350, 16 bytes long.
Data: <° ?¸# > B0 8D 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000223B8405BC0, 16 bytes long.
Data: < ?¸# > 88 8D 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000223B8405580, 16 bytes long.
Data: <` ?¸# > 60 8D 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000223B8405DF0, 16 bytes long.
Data: <8 ?¸# > 38 8D 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000223B8405DA0, 16 bytes long.
Data: < ?¸# > 10 8D 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000223B8405530, 16 bytes long.
Data: <èŒ?¸# > E8 8C 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000223B83FF9D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000223B8405300, 16 bytes long.
Data: <ÀŒ?¸# > C0 8C 3F B8 23 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000223B83F8CC0, 320 bytes long.
Data: < S@¸# Ðù?¸# > 00 53 40 B8 23 02 00 00 D0 F9 3F B8 23 02 00 00
{275} normal block at 0x00000223B84058A0, 16 bytes long.
Data: < c@¸# > 20 63 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000223B8405B70, 16 bytes long.
Data: <øb@¸# > F8 62 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000223B83FFF10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000223B84051C0, 16 bytes long.
Data: <Ðb@¸# > D0 62 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000223B83FF970, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000223B8405F80, 16 bytes long.
Data: < b@¸# > 18 62 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000223B8405EE0, 16 bytes long.
Data: <ða@¸# > F0 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000223B8405A30, 16 bytes long.
Data: <Èa@¸# > C8 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000223B8405E90, 16 bytes long.
Data: < a@¸# > A0 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000223B8405FD0, 16 bytes long.
Data: <xa@¸# > 78 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000223B84059E0, 16 bytes long.
Data: <Pa@¸# > 50 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000223B8405C60, 16 bytes long.
Data: <ÀG@¸# > C0 47 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000223B84047C0, 40 bytes long.
Data: <`\@¸# C º# > 60 5C 40 B8 23 02 00 00 20 43 1E BA 23 02 00 00
{261} normal block at 0x00000223B8405D00, 16 bytes long.
Data: <0a@¸# > 30 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000223B8405440, 16 bytes long.
Data: < a@¸# > 08 61 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000223B83FFAF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000223B8405E40, 16 bytes long.
Data: <à`@¸# > E0 60 40 B8 23 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000223B84060E0, 992 bytes long.
Data: <@^@¸# ðú?¸# > 40 5E 40 B8 23 02 00 00 F0 FA 3F B8 23 02 00 00
{93} normal block at 0x00000223B83FFB50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000223B83FF050, 16 bytes long.
Data: < å>¸# > 20 E5 3E B8 23 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000223B83EE520, 40 bytes long.
Data: <Pð?¸# Pû?¸# > 50 F0 3F B8 23 02 00 00 50 FB 3F B8 23 02 00 00
{70} normal block at 0x00000223B83FF230, 16 bytes long.
Data: < êì—ö > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000223B83FF190, 16 bytes long.
Data: <@éì—ö > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000223B83FE970, 16 bytes long.
Data: <øWé—ö > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000223B83FE880, 16 bytes long.
Data: <ØWé—ö > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000223B83FE420, 16 bytes long.
Data: <P é—ö > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000223B83FEB00, 16 bytes long.
Data: <0 é—ö > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000223B83FE920, 16 bytes long.
Data: <à é—ö > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000223B83FF000, 16 bytes long.
Data: < é—ö > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000223B83FEFB0, 16 bytes long.
Data: <p é—ö > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000223B83FEF60, 16 bytes long.
Data: < Àç—ö > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra