Task 38681995
| Name | test_361-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND9965_0 |
| Workunit | 31623634 |
| Created | 27 Oct 2026, 6:10:02 UTC |
| Sent | 27 Oct 2026, 6:10:05 UTC |
| Report deadline | 1 Nov 2026, 6:10:05 UTC |
| Received | 27 Oct 2026, 7:45:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651831 |
| Run time | 31 min 38 sec |
| CPU time | 29 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,472.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 760.80 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:13:54 (440): wrapper (7.9.26016): starting
03:13:54 (440): 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
03:13:56 (440): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:13:56 (440): 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\30\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\30\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
03:44:20 (440): C:/Windows/system32/cmd.exe exited; CPU time 1746.406250
03:44:20 (440): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 31829903 bytes.
Dumping objects ->
{3835536} normal block at 0x0000029FB5C2CB30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x0000029FB3E54CB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x0000029FB3E54AF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835503} normal block at 0x0000029FB3E54BD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835492} normal block at 0x0000029FB3E54F50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835461} normal block at 0x0000029FB5C78EC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835450} normal block at 0x0000029FB3EBA9C0, 140 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) : {3835447} normal block at 0x0000029FB3E4EA00, 8 bytes long.
Data: < Q´Ÿ > 00 00 51 B4 9F 02 00 00
{3834695} normal block at 0x0000029FB3EBA270, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000029FB3E4F860, 8 bytes long.
Data: <`SеŸ > 60 53 D0 B5 9F 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000029FB3E510B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029FB3E46240, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000029FB3E55460, 16 bytes long.
Data: <Hg峟 > 48 67 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029FB3E55FA0, 16 bytes long.
Data: < g峟 > 20 67 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029FB3E4FEC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000029FB3E554B0, 16 bytes long.
Data: <øf峟 > F8 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029FB3E55780, 16 bytes long.
Data: <Ðf峟 > D0 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029FB3E556E0, 16 bytes long.
Data: <¨f峟 > A8 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029FB3E559B0, 16 bytes long.
Data: < f峟 > 80 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029FB3E54EE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000029FB3E563B0, 16 bytes long.
Data: <¨ç䳟 > A8 E7 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029FB3E4F9E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000029FB3E55FF0, 16 bytes long.
Data: < ç䳟 > 80 E7 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029FB3E55730, 16 bytes long.
Data: <Xç䳟 > 58 E7 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029FB3E55A00, 16 bytes long.
Data: <0ç䳟 > 30 E7 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029FB3E55690, 16 bytes long.
Data: < ç䳟 > 08 E7 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029FB3E55640, 16 bytes long.
Data: <àæ䳟 > E0 E6 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029FB3E56360, 16 bytes long.
Data: <¸æ䳟 > B8 E6 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029FB3E4FDA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000029FB3E56130, 16 bytes long.
Data: < æ䳟 > 90 E6 E4 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029FB3E4E690, 320 bytes long.
Data: <0a峟  ý䳟 > 30 61 E5 B3 9F 02 00 00 A0 FD E4 B3 9F 02 00 00
{277} normal block at 0x0000029FB3E55820, 16 bytes long.
Data: <`f峟 > 60 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029FB3E555A0, 16 bytes long.
Data: <8f峟 > 38 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029FB3E504C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000029FB3E55C30, 16 bytes long.
Data: < f峟 > 10 66 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029FB3E50640, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000029FB3E56310, 16 bytes long.
Data: <Xe峟 > 58 65 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029FB3E55E10, 16 bytes long.
Data: <0e峟 > 30 65 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029FB3E562C0, 16 bytes long.
Data: < e峟 > 08 65 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029FB3E55D20, 16 bytes long.
Data: <àd峟 > E0 64 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029FB3E55550, 16 bytes long.
Data: <¸d峟 > B8 64 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029FB3E55CD0, 16 bytes long.
Data: < d峟 > 90 64 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029FB3E56180, 16 bytes long.
Data: <`K峟 > 60 4B E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029FB3E54B60, 40 bytes long.
Data: < a峟 ÀŽÇµŸ > 80 61 E5 B3 9F 02 00 00 C0 8E C7 B5 9F 02 00 00
{263} normal block at 0x0000029FB3E55A50, 16 bytes long.
Data: <pd峟 > 70 64 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000029FB3E555F0, 16 bytes long.
Data: <Hd峟 > 48 64 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029FB3E4FB00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000029FB3E56090, 16 bytes long.
Data: < d峟 > 20 64 E5 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000029FB3E56420, 992 bytes long.
Data: < `峟 û䳟 > 90 60 E5 B3 9F 02 00 00 00 FB E4 B3 9F 02 00 00
{95} normal block at 0x0000029FB3E4FE60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000029FB3E4F810, 16 bytes long.
Data: <@Ô㳟 > 40 D4 E3 B3 9F 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000029FB3E3D440, 40 bytes long.
Data: < ø䳟 `þ䳟 > 10 F8 E4 B3 9F 02 00 00 60 FE E4 B3 9F 02 00 00
{72} normal block at 0x0000029FB3E4EA50, 16 bytes long.
Data: < ê×óö > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029FB3E4F5E0, 16 bytes long.
Data: <@é×óö > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029FB3E4F3B0, 16 bytes long.
Data: <øWÔóö > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029FB3E4EDC0, 16 bytes long.
Data: <ØWÔóö > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029FB3E4EAF0, 16 bytes long.
Data: <P Ôóö > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029FB3E4F770, 16 bytes long.
Data: <0 Ôóö > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029FB3E4EAA0, 16 bytes long.
Data: <à Ôóö > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029FB3E4ECD0, 16 bytes long.
Data: < Ôóö > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029FB3E4EC80, 16 bytes long.
Data: <p Ôóö > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029FB3E4EE10, 16 bytes long.
Data: < ÀÒóö > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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