Task 38683698
| Name | test_191-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4857_0 |
| Workunit | 31625249 |
| Created | 27 Oct 2026, 12:54:21 UTC |
| Sent | 27 Oct 2026, 12:54:25 UTC |
| Report deadline | 1 Nov 2026, 12:54:25 UTC |
| Received | 28 Oct 2026, 16:12:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651945 |
| Run time | 39 min 21 sec |
| CPU time | 35 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,346.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.91 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.71 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:32:56 (296): wrapper (7.9.26016): starting
11:32:56 (296): 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
11:32:59 (296): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:32:59 (296): 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\16\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\16\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
12:10:22 (296): C:/Windows/system32/cmd.exe exited; CPU time 2148.875000
12:10:22 (296): 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: 41665133 bytes.
Dumping objects ->
{3835262} normal block at 0x0000016CEBB6A820, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000016CEBB6AB30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000016CEBB6AC10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x0000016CE9D54B40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000016CE9D54AD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x0000016CEBB53B70, 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) : {3835174} normal block at 0x0000016CE9D4EA00, 8 bytes long.
Data: < Ñél > 00 00 D1 E9 6C 01 00 00
{3833959} normal block at 0x0000016CE9D4F2C0, 8 bytes long.
Data: < Hȑl > 10 48 BB EB 6C 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000016CE9D50D90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016CE9D46AD0, 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 0x0000016CE9D55A80, 16 bytes long.
Data: < WÕél > 08 57 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016CE9D55A30, 16 bytes long.
Data: <àVÕél > E0 56 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016CE9D4FB60, 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 0x0000016CE9D56750, 16 bytes long.
Data: <¸VÕél > B8 56 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016CE9D55E90, 16 bytes long.
Data: < VÕél > 90 56 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016CE9D55990, 16 bytes long.
Data: <hVÕél > 68 56 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016CE9D56340, 16 bytes long.
Data: <@VÕél > 40 56 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016CE9D54910, 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 0x0000016CE9D56700, 16 bytes long.
Data: <èµÓél > E8 B5 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016CE9D504C0, 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 0x0000016CE9D56160, 16 bytes long.
Data: <ÀµÓél > C0 B5 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016CE9D566B0, 16 bytes long.
Data: < µÓél > 98 B5 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016CE9D55E40, 16 bytes long.
Data: <pµÓél > 70 B5 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016CE9D55940, 16 bytes long.
Data: <HµÓél > 48 B5 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016CE9D562F0, 16 bytes long.
Data: < µÓél > 20 B5 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016CE9D55DF0, 16 bytes long.
Data: <ø´Óél > F8 B4 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016CE9D50460, 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 0x0000016CE9D56660, 16 bytes long.
Data: <дÓél > D0 B4 D3 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016CE9D3B4D0, 320 bytes long.
Data: <`fÕél ` Õél > 60 66 D5 E9 6C 01 00 00 60 04 D5 E9 6C 01 00 00
{275} normal block at 0x0000016CE9D560C0, 16 bytes long.
Data: < VÕél > 20 56 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016CE9D55EE0, 16 bytes long.
Data: <øUÕél > F8 55 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016CE9D502E0, 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 0x0000016CE9D56110, 16 bytes long.
Data: <ÐUÕél > D0 55 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016CE9D4F9E0, 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 0x0000016CE9D559E0, 16 bytes long.
Data: < UÕél > 18 55 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016CE9D55850, 16 bytes long.
Data: <ðTÕél > F0 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016CE9D55DA0, 16 bytes long.
Data: <ÈTÕél > C8 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016CE9D56610, 16 bytes long.
Data: < TÕél > A0 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016CE9D55F80, 16 bytes long.
Data: <xTÕél > 78 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016CE9D4ECD0, 16 bytes long.
Data: <PTÕél > 50 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016CE9D4E960, 16 bytes long.
Data: < LÕél > 20 4C D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016CE9D54C20, 40 bytes long.
Data: <`éÔél p;µël > 60 E9 D4 E9 6C 01 00 00 70 3B B5 EB 6C 01 00 00
{261} normal block at 0x0000016CE9D4F450, 16 bytes long.
Data: <0TÕél > 30 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016CE9D4F4F0, 16 bytes long.
Data: < TÕél > 08 54 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016CE9D505E0, 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 0x0000016CE9D4E8C0, 16 bytes long.
Data: <àSÕél > E0 53 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016CE9D553E0, 992 bytes long.
Data: <ÀèÔél à Õél > C0 E8 D4 E9 6C 01 00 00 E0 05 D5 E9 6C 01 00 00
{93} normal block at 0x0000016CE9D4FE60, 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 0x0000016CE9D4E9B0, 16 bytes long.
Data: <ÀGÕél > C0 47 D5 E9 6C 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000016CE9D547C0, 40 bytes long.
Data: <°éÔél `þÔél > B0 E9 D4 E9 6C 01 00 00 60 FE D4 E9 6C 01 00 00
{70} normal block at 0x0000016CE9D4EC30, 16 bytes long.
Data: < êöW÷ > 80 EA F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016CE9D4F360, 16 bytes long.
Data: <@éöW÷ > 40 E9 F6 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016CE9D4F3B0, 16 bytes long.
Data: <øWóW÷ > F8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016CE9D4E870, 16 bytes long.
Data: <ØWóW÷ > D8 57 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016CE9D4F5E0, 16 bytes long.
Data: <P óW÷ > 50 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016CE9D4F1D0, 16 bytes long.
Data: <0 óW÷ > 30 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016CE9D4F590, 16 bytes long.
Data: <à óW÷ > E0 02 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016CE9D4F630, 16 bytes long.
Data: < óW÷ > 10 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016CE9D4EBE0, 16 bytes long.
Data: <p óW÷ > 70 04 F3 57 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016CE9D4E910, 16 bytes long.
Data: < ÀñW÷ > 18 C0 F1 57 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra