Task 38602208
| Name | p38_A03_A08_r0_2-QUICO_ATM_GAFF2_NAGL_p38-2-6-RND3571_1 |
| Workunit | 31556648 |
| Created | 9 Apr 2026, 22:45:41 UTC |
| Sent | 9 Apr 2026, 22:45:42 UTC |
| Report deadline | 14 Apr 2026, 22:45:42 UTC |
| Received | 10 Apr 2026, 1:35:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632488 |
| Run time | 2 hours 48 min 24 sec |
| CPU time | 2 hours 47 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,615.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.18 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:47:22 (28972): wrapper (7.9.26016): starting
00:47:22 (28972): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A08_0.pdb
QB_A03_A08_0.xml
QB_A03_A08.inpcrd
QB_A03_A08_input.yaml
QB_A03_A08.pdb
QB_A03_A08.prmtop
QB_A03_A08_sys.xml
run.bat
run.sh
00:47:23 (28972): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:47:23 (28972): 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\0\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\0\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: Exiting with failure status due to previous errors
03:35:07 (28972): C:/Windows/system32/cmd.exe exited; CPU time 10032.359375
03:35:07 (28972): 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: 173484579 bytes.
Dumping objects ->
{3835574} normal block at 0x000001C7DFEFA760, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835563} normal block at 0x000001C7DFEFA140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835552} normal block at 0x000001C7DFEFA4C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835541} normal block at 0x000001C7DFEFAD80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835530} normal block at 0x000001C7DFEFA060, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835499} normal block at 0x000001C7E1A69A20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835488} normal block at 0x000001C7DFF2EC10, 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) : {3835485} normal block at 0x000001C7DFECD980, 8 bytes long.
Data: < àÇ > 00 00 1C E0 C7 01 00 00
{3834706} normal block at 0x000001C7DFF2F430, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000001C7DFECE510, 8 bytes long.
Data: <PG¬áÇ > 50 47 AC E1 C7 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C7DFEC1270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C7DFEC28B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001C7DFED79B0, 16 bytes long.
Data: <H}íßÇ > 48 7D ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C7DFED6E70, 16 bytes long.
Data: < }íßÇ > 20 7D ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C7DFED0730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001C7DFED6FB0, 16 bytes long.
Data: <ø|íßÇ > F8 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C7DFED7550, 16 bytes long.
Data: <Ð|íßÇ > D0 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C7DFED76E0, 16 bytes long.
Data: <¨|íßÇ > A8 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C7DFED75F0, 16 bytes long.
Data: < |íßÇ > 80 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C7DFED16F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001C7DFED7500, 16 bytes long.
Data: <xÿëßÇ > 78 FF EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C7DFED0490, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001C7DFED6BA0, 16 bytes long.
Data: <PÿëßÇ > 50 FF EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C7DFED78C0, 16 bytes long.
Data: <(ÿëßÇ > 28 FF EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C7DFED7460, 16 bytes long.
Data: < ÿëßÇ > 00 FF EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C7DFED6C40, 16 bytes long.
Data: <ØþëßÇ > D8 FE EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C7DFED75A0, 16 bytes long.
Data: <°þëßÇ > B0 FE EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C7DFED7410, 16 bytes long.
Data: < þëßÇ > 88 FE EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C7DFED0430, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001C7DFED6B50, 16 bytes long.
Data: <`þëßÇ > 60 FE EB DF C7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C7DFEBFE60, 320 bytes long.
Data: <PkíßÇ 0 íßÇ > 50 6B ED DF C7 01 00 00 30 04 ED DF C7 01 00 00
{279} normal block at 0x000001C7DFED7780, 16 bytes long.
Data: <`|íßÇ > 60 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C7DFED7280, 16 bytes long.
Data: <8|íßÇ > 38 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C7DFECFF50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001C7DFED7370, 16 bytes long.
Data: < |íßÇ > 10 7C ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C7DFECFCB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001C7DFED6B00, 16 bytes long.
Data: <X{íßÇ > 58 7B ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C7DFED70A0, 16 bytes long.
Data: <0{íßÇ > 30 7B ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C7DFED6AB0, 16 bytes long.
Data: < {íßÇ > 08 7B ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C7DFED7960, 16 bytes long.
Data: <àzíßÇ > E0 7A ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C7DFED74B0, 16 bytes long.
Data: <¸zíßÇ > B8 7A ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C7DFED7230, 16 bytes long.
Data: < zíßÇ > 90 7A ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C7DFED7050, 16 bytes long.
Data: <° íßÇ > B0 18 ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C7DFED18B0, 40 bytes long.
Data: <PpíßÇ š¦áÇ > 50 70 ED DF C7 01 00 00 20 9A A6 E1 C7 01 00 00
{265} normal block at 0x000001C7DFED71E0, 16 bytes long.
Data: <pzíßÇ > 70 7A ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C7DFED6A60, 16 bytes long.
Data: <HzíßÇ > 48 7A ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C7DFED0670, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001C7DFED7820, 16 bytes long.
Data: < zíßÇ > 20 7A ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C7DFED7A20, 992 bytes long.
Data: < xíßÇ p íßÇ > 20 78 ED DF C7 01 00 00 70 06 ED DF C7 01 00 00
{97} normal block at 0x000001C7DFECFEF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001C7DFECDED0, 16 bytes long.
Data: <` íßÇ > 60 17 ED DF C7 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001C7DFED1760, 40 bytes long.
Data: <ÐÞìßÇ ðþìßÇ > D0 DE EC DF C7 01 00 00 F0 FE EC DF C7 01 00 00
{74} normal block at 0x000001C7DFECD6B0, 16 bytes long.
Data: < ê\ ÷ > 80 EA 5C 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C7DFECE380, 16 bytes long.
Data: <@é\ ÷ > 40 E9 5C 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C7DFECD660, 16 bytes long.
Data: <øWY ÷ > F8 57 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C7DFECDCA0, 16 bytes long.
Data: <ØWY ÷ > D8 57 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C7DFECDBB0, 16 bytes long.
Data: <P Y ÷ > 50 04 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C7DFECDB60, 16 bytes long.
Data: <0 Y ÷ > 30 04 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C7DFECE5B0, 16 bytes long.
Data: <à Y ÷ > E0 02 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C7DFECE100, 16 bytes long.
Data: < Y ÷ > 10 04 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C7DFECDE30, 16 bytes long.
Data: <p Y ÷ > 70 04 59 8F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C7DFECD7F0, 16 bytes long.
Data: < ÀW ÷ > 18 C0 57 8F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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