Task 38665792
| Name | test_777-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7108_0 |
| Workunit | 31608846 |
| Created | 25 Oct 2026, 1:34:02 UTC |
| Sent | 25 Oct 2026, 2:17:51 UTC |
| Report deadline | 30 Oct 2026, 2:17:51 UTC |
| Received | 25 Oct 2026, 21:29:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618719 |
| Run time | 18 hours 56 min 55 sec |
| CPU time | 18 hours 41 min 36 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 4,538.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 664.57 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:36:41 (3380): wrapper (7.9.26016): starting
03:36:41 (3380): 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
03:36:44 (3380): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:36:44 (3380): 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
22:28:16 (3380): C:/Windows/system32/cmd.exe exited; CPU time 67296.562500
22:28:16 (3380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 718219775 bytes.
Dumping objects ->
{3835251} normal block at 0x0000014C0BFA1600, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000014C0BFA1980, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000014C0BFA11A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x0000014C0BFA17C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000014C0BFA1A60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x0000014C0C0FCA50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000014C0A64B5F0, 145 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) : {3835162} normal block at 0x0000014C0A601130, 8 bytes long.
Data: < û L > 00 00 FB 0B 4C 01 00 00
{3834548} normal block at 0x0000014C0A64AD00, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000014C0A601040, 8 bytes long.
Data: <pÚm L > 70 DA 6D 0A 4C 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000014C0A601440, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014C0A602380, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000014C0A5F6460, 16 bytes long.
Data: <X+` L > 58 2B 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000014C0A5F6AA0, 16 bytes long.
Data: <0+` L > 30 2B 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000014C0A5FD360, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000014C0A5F63C0, 16 bytes long.
Data: < +` L > 08 2B 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014C0A5F6320, 16 bytes long.
Data: <à*` L > E0 2A 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014C0A5F6280, 16 bytes long.
Data: <¸*` L > B8 2A 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014C0A5F6DC0, 16 bytes long.
Data: < *` L > 90 2A 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014C0A5FB5E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000014C0A5F6230, 16 bytes long.
Data: < #` L > 18 23 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014C0A5FCFA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000014C0A5F6CD0, 16 bytes long.
Data: <ð"` L > F0 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014C0A5F7180, 16 bytes long.
Data: <È"` L > C8 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014C0A5F6410, 16 bytes long.
Data: < "` L > A0 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014C0A5F62D0, 16 bytes long.
Data: <x"` L > 78 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014C0A600C30, 16 bytes long.
Data: <P"` L > 50 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014C0A600AF0, 16 bytes long.
Data: <("` L > 28 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014C0A5FC940, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000014C0A600AA0, 16 bytes long.
Data: < "` L > 00 22 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014C0A602200, 320 bytes long.
Data: <  ` L @É_ L > A0 0A 60 0A 4C 01 00 00 40 C9 5F 0A 4C 01 00 00
{268} normal block at 0x0000014C0A6010E0, 16 bytes long.
Data: <p*` L > 70 2A 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014C0A600BE0, 16 bytes long.
Data: <H*` L > 48 2A 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014C0A5FCE20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000014C0A600EB0, 16 bytes long.
Data: < *` L > 20 2A 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014C0A5FD480, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000014C0A600CD0, 16 bytes long.
Data: <h)` L > 68 29 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014C0A600FF0, 16 bytes long.
Data: <@)` L > 40 29 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014C0A600FA0, 16 bytes long.
Data: < )` L > 18 29 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014C0A600F50, 16 bytes long.
Data: <ð(` L > F0 28 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014C0A600D70, 16 bytes long.
Data: <È(` L > C8 28 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000014C0A600E60, 16 bytes long.
Data: < (` L > A0 28 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000014C0A600DC0, 16 bytes long.
Data: <P¶_ L > 50 B6 5F 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000014C0A5FB650, 40 bytes long.
Data: <À ` L PÊ L > C0 0D 60 0A 4C 01 00 00 50 CA 0F 0C 4C 01 00 00
{254} normal block at 0x0000014C0A600D20, 16 bytes long.
Data: < (` L > 80 28 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000014C0A600C80, 16 bytes long.
Data: <X(` L > 58 28 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000014C0A5FD6C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000014C0A600B40, 16 bytes long.
Data: <0(` L > 30 28 60 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000014C0A602830, 992 bytes long.
Data: <@ ` L ÀÖ_ L > 40 0B 60 0A 4C 01 00 00 C0 D6 5F 0A 4C 01 00 00
{86} normal block at 0x0000014C0A5FD300, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000014C0A5F7090, 16 bytes long.
Data: <`¹_ L > 60 B9 5F 0A 4C 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000014C0A5FB960, 40 bytes long.
Data: < p_ L Ó_ L > 90 70 5F 0A 4C 01 00 00 00 D3 5F 0A 4C 01 00 00
{63} normal block at 0x0000014C0A5F6FA0, 16 bytes long.
Data: < ꚥö > 80 EA 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000014C0A5F6870, 16 bytes long.
Data: <@隥ö > 40 E9 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000014C0A5F6D70, 16 bytes long.
Data: <øW—¥ö > F8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000014C0A5F6910, 16 bytes long.
Data: <ØW—¥ö > D8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000014C0A5F6BE0, 16 bytes long.
Data: <P —¥ö > 50 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000014C0A5F68C0, 16 bytes long.
Data: <0 —¥ö > 30 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000014C0A5F65A0, 16 bytes long.
Data: <à —¥ö > E0 02 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000014C0A5F6820, 16 bytes long.
Data: < —¥ö > 10 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000014C0A5F66E0, 16 bytes long.
Data: <p —¥ö > 70 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000014C0A5F6FF0, 16 bytes long.
Data: < À•¥ö > 18 C0 95 A5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra