Task 38601701
| Name | p38_A03_A08_r0_1-QUICO_ATM_GAFF2_NAGL_p38-5-6-RND0518_0 |
| Workunit | 31556219 |
| Created | 9 Apr 2026, 16:39:07 UTC |
| Sent | 9 Apr 2026, 16:39:17 UTC |
| Report deadline | 14 Apr 2026, 16:39:17 UTC |
| Received | 10 Apr 2026, 5:59:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650089 |
| Run time | 6 hours 51 min 4 sec |
| CPU time | 6 hours 51 min 4 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,744.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 776.36 MB |
| Peak swap size | 24.96 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:19:19 (18736): wrapper (7.9.26016): starting
01:19:19 (18736): 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
01:19:20 (18736): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:19:20 (18736): 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\3\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\3\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
07:58:31 (18736): C:/Windows/system32/cmd.exe exited; CPU time 24664.093750
07:58:31 (18736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 740178568 bytes.
Dumping objects ->
{3835550} normal block at 0x00000233DB32DB80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835539} normal block at 0x00000233DB32CE60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835528} normal block at 0x00000233D95354E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835517} normal block at 0x00000233D9535470, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835506} normal block at 0x00000233D9535780, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835475} normal block at 0x00000233DB375BA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x00000233DB38D4E0, 85 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) : {3835461} normal block at 0x00000233D952DD30, 8 bytes long.
Data: < õÚ3 > 00 00 F5 DA 33 02 00 00
{3834682} normal block at 0x00000233DB38CA40, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x00000233D952D9C0, 8 bytes long.
Data: <p==Û3 > 70 3D 3D DB 33 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000233D9521840, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000233D95223B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000233D9535BB0, 16 bytes long.
Data: <xkSÙ3 > 78 6B 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000233D9535CA0, 16 bytes long.
Data: <PkSÙ3 > 50 6B 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000233D9531970, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000233D95366F0, 16 bytes long.
Data: <(kSÙ3 > 28 6B 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000233D9535980, 16 bytes long.
Data: < kSÙ3 > 00 6B 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000233D95364C0, 16 bytes long.
Data: <ØjSÙ3 > D8 6A 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000233D9535E80, 16 bytes long.
Data: <°jSÙ3 > B0 6A 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000233D9535550, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000233D9535FC0, 16 bytes long.
Data: <Ø SÙ3 > D8 09 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000233D95313D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000233D9535ED0, 16 bytes long.
Data: <° SÙ3 > B0 09 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000233D95363D0, 16 bytes long.
Data: < SÙ3 > 88 09 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000233D9535DE0, 16 bytes long.
Data: <` SÙ3 > 60 09 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000233D9535D90, 16 bytes long.
Data: <8 SÙ3 > 38 09 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000233D9535F20, 16 bytes long.
Data: < SÙ3 > 10 09 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000233D9536650, 16 bytes long.
Data: <è SÙ3 > E8 08 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000233D9530C50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000233D95365B0, 16 bytes long.
Data: <À SÙ3 > C0 08 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000233D95308C0, 320 bytes long.
Data: <°eSÙ3 P SÙ3 > B0 65 53 D9 33 02 00 00 50 0C 53 D9 33 02 00 00
{273} normal block at 0x00000233D9535CF0, 16 bytes long.
Data: < jSÙ3 > 90 6A 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000233D9535A20, 16 bytes long.
Data: <hjSÙ3 > 68 6A 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000233D95311F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000233D9535930, 16 bytes long.
Data: <@jSÙ3 > 40 6A 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000233D9531070, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000233D9535D40, 16 bytes long.
Data: < iSÙ3 > 88 69 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000233D95366A0, 16 bytes long.
Data: <`iSÙ3 > 60 69 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000233D9536600, 16 bytes long.
Data: <8iSÙ3 > 38 69 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000233D9536420, 16 bytes long.
Data: < iSÙ3 > 10 69 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000233D9536330, 16 bytes long.
Data: <èhSÙ3 > E8 68 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000233D9535AC0, 16 bytes long.
Data: <ÀhSÙ3 > C0 68 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000233D95358E0, 16 bytes long.
Data: < WSÙ3 > 10 57 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000233D9535710, 40 bytes long.
Data: <àXSÙ3  [7Û3 > E0 58 53 D9 33 02 00 00 A0 5B 37 DB 33 02 00 00
{259} normal block at 0x00000233D95362E0, 16 bytes long.
Data: < hSÙ3 > A0 68 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000233D9535C00, 16 bytes long.
Data: <xhSÙ3 > 78 68 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000233D95315B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000233D9535890, 16 bytes long.
Data: <PhSÙ3 > 50 68 53 D9 33 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000233D9536850, 992 bytes long.
Data: < XSÙ3 ° SÙ3 > 90 58 53 D9 33 02 00 00 B0 15 53 D9 33 02 00 00
{91} normal block at 0x00000233D9530D70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000233D952D510, 16 bytes long.
Data: <ÀñQÙ3 > C0 F1 51 D9 33 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000233D951F1C0, 40 bytes long.
Data: < ÕRÙ3 p SÙ3 > 10 D5 52 D9 33 02 00 00 70 0D 53 D9 33 02 00 00
{68} normal block at 0x00000233D952E0A0, 16 bytes long.
Data: < ꢨ÷ > 80 EA A2 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000233D952D830, 16 bytes long.
Data: <@風÷ > 40 E9 A2 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000233D952DB00, 16 bytes long.
Data: <øWŸ¨÷ > F8 57 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000233D952DCE0, 16 bytes long.
Data: <ØWŸ¨÷ > D8 57 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000233D952D420, 16 bytes long.
Data: <P Ÿ¨÷ > 50 04 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000233D952D920, 16 bytes long.
Data: <0 Ÿ¨÷ > 30 04 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000233D952D8D0, 16 bytes long.
Data: <à Ÿ¨÷ > E0 02 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000233D952D650, 16 bytes long.
Data: < Ÿ¨÷ > 10 04 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000233D952E050, 16 bytes long.
Data: <p Ÿ¨÷ > 70 04 9F A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000233D952DEC0, 16 bytes long.
Data: < À ¨÷ > 18 C0 9D A8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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