Task 38673982
| Name | test_145-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7472_0 |
| Workunit | 31616036 |
| Created | 26 Oct 2026, 3:58:18 UTC |
| Sent | 26 Oct 2026, 3:58:18 UTC |
| Report deadline | 31 Oct 2026, 3:58:18 UTC |
| Received | 26 Oct 2026, 6:57:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652544 |
| Run time | 44 min 54 sec |
| CPU time | 42 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,076.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.86 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.32 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:13:59 (64892): wrapper (7.9.26016): starting
07:13:59 (64892): 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
07:14:01 (64892): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:14:01 (64892): 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\5\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\5\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
07:56:34 (64892): C:/Windows/system32/cmd.exe exited; CPU time 2522.718750
07:56:34 (64892): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 66164285 bytes.
Dumping objects ->
{3835258} normal block at 0x0000014E8F910BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x0000014E8F910E60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x0000014E8F910A70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x0000014E8F910C30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x0000014E8F910920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x0000014E8F9DAF00, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x0000014E8F9D1F80, 141 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) : {3835169} normal block at 0x0000014E8DD263C0, 8 bytes long.
Data: < Î N > 00 00 CE 8D 4E 01 00 00
{3834553} normal block at 0x0000014E8F9D2870, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000014E8DD26000, 8 bytes long.
Data: <Ð – N > D0 10 96 8F 4E 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000014E8DD305D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000014E8DD31510, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000014E8DD31FC0, 16 bytes long.
Data: <ø(Ó N > F8 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000014E8DD31D40, 16 bytes long.
Data: <Ð(Ó N > D0 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000014E8DD2CFF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000014E8DD32330, 16 bytes long.
Data: <¨(Ó N > A8 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000014E8DD317A0, 16 bytes long.
Data: < (Ó N > 80 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014E8DD31930, 16 bytes long.
Data: <X(Ó N > 58 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014E8DD323D0, 16 bytes long.
Data: <0(Ó N > 30 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014E8DD2AE60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000014E8DD32290, 16 bytes long.
Data: <¨ Ó N > A8 14 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000014E8DD2CB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000014E8DD318E0, 16 bytes long.
Data: < Ó N > 80 14 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000014E8DD32240, 16 bytes long.
Data: <X Ó N > 58 14 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014E8DD31CF0, 16 bytes long.
Data: <0 Ó N > 30 14 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014E8DD317F0, 16 bytes long.
Data: < Ó N > 08 14 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014E8DD31840, 16 bytes long.
Data: <à Ó N > E0 13 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014E8DD32470, 16 bytes long.
Data: <¸ Ó N > B8 13 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014E8DD2C270, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000014E8DD32510, 16 bytes long.
Data: < Ó N > 90 13 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014E8DD31390, 320 bytes long.
Data: < %Ó N pÂÒ N > 10 25 D3 8D 4E 01 00 00 70 C2 D2 8D 4E 01 00 00
{269} normal block at 0x0000014E8DD31CA0, 16 bytes long.
Data: < (Ó N > 10 28 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000014E8DD31F70, 16 bytes long.
Data: <è'Ó N > E8 27 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014E8DD2CF30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000014E8DD324C0, 16 bytes long.
Data: <À'Ó N > C0 27 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000014E8DD2C210, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000014E8DD31AC0, 16 bytes long.
Data: < 'Ó N > 08 27 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000014E8DD31700, 16 bytes long.
Data: <à&Ó N > E0 26 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014E8DD32150, 16 bytes long.
Data: <¸&Ó N > B8 26 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014E8DD32100, 16 bytes long.
Data: < &Ó N > 90 26 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014E8DD31F20, 16 bytes long.
Data: <h&Ó N > 68 26 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014E8DD31A70, 16 bytes long.
Data: <@&Ó N > 40 26 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000014E8DD32380, 16 bytes long.
Data: <P²Ò N > 50 B2 D2 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000014E8DD2B250, 40 bytes long.
Data: < #Ó N ¯ N > 80 23 D3 8D 4E 01 00 00 00 AF 9D 8F 4E 01 00 00
{255} normal block at 0x0000014E8DD316B0, 16 bytes long.
Data: < &Ó N > 20 26 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000014E8DD31660, 16 bytes long.
Data: <ø%Ó N > F8 25 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000014E8DD2CED0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000014E8DD31610, 16 bytes long.
Data: <Ð%Ó N > D0 25 D3 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000014E8DD325D0, 992 bytes long.
Data: < Ó N ÐÎÒ N > 10 16 D3 8D 4E 01 00 00 D0 CE D2 8D 4E 01 00 00
{87} normal block at 0x0000014E8DD2C4B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000014E8DD26730, 16 bytes long.
Data: <p±Ò N > 70 B1 D2 8D 4E 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000014E8DD2B170, 40 bytes long.
Data: <0gÒ N °ÄÒ N > 30 67 D2 8D 4E 01 00 00 B0 C4 D2 8D 4E 01 00 00
{64} normal block at 0x0000014E8DD25E70, 16 bytes long.
Data: < ê Êö > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000014E8DD26820, 16 bytes long.
Data: <@é Êö > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000014E8DD261E0, 16 bytes long.
Data: <øW Êö > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000014E8DD25FB0, 16 bytes long.
Data: <ØW Êö > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000014E8DD26B90, 16 bytes long.
Data: <P Êö > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000014E8DD26410, 16 bytes long.
Data: <0 Êö > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000014E8DD26550, 16 bytes long.
Data: <à Êö > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000014E8DD25F60, 16 bytes long.
Data: < Êö > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000014E8DD26690, 16 bytes long.
Data: <p Êö > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000014E8DD260F0, 16 bytes long.
Data: < À‹Êö > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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