Task 38602901
| Name | PTP1B_A20_A03_r0_2-QUICO_ATM_GAFF2_NAGL_PTP1B-4-6-RND2568_0 |
| Workunit | 31557234 |
| Created | 10 Apr 2026, 8:56:31 UTC |
| Sent | 10 Apr 2026, 8:56:37 UTC |
| Report deadline | 15 Apr 2026, 8:56:37 UTC |
| Received | 10 Apr 2026, 22:05:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550955 |
| Run time | 4 hours 38 min 58 sec |
| CPU time | 4 hours 9 min 59 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 23,247.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 581.88 MB |
| Peak swap size | 9.71 GB |
| Peak disk usage | 3.00 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:13:09 (10768): wrapper (7.9.26016): starting
19:13:09 (10768): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A03_0.pdb
QB_A20_A03_0.xml
QB_A20_A03.inpcrd
QB_A20_A03_input.yaml
QB_A20_A03.pdb
QB_A20_A03.prmtop
QB_A20_A03_sys.xml
run.bat
run.sh
19:13:15 (10768): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:13:15 (10768): 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\1\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\1\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
00:04:05 (10768): C:/Windows/system32/cmd.exe exited; CPU time 14999.953125
00:04:05 (10768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 168941999 bytes.
Dumping objects ->
{3835250} normal block at 0x000002B6CE219280, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000002B6CC600400, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x000002B6CC6007F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x000002B6CC6004E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000002B6CC600320, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x000002B6CE22BB80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835164} normal block at 0x000002B6CE2180C0, 235 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) : {3835161} normal block at 0x000002B6CC5FD600, 8 bytes long.
Data: < Z̶ > 00 00 5A CC B6 02 00 00
{3834559} normal block at 0x000002B6CC5EBA60, 235 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 0x000002B6CC5FDE70, 8 bytes long.
Data: <°×^̶ > B0 D7 5E CC B6 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002B6CC5F0A60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B6CC5F27D0, 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 0x000002B6CC605640, 16 bytes long.
Data: < g`̶ > 98 67 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B6CC605A00, 16 bytes long.
Data: <pg`̶ > 70 67 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B6CC601580, 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 0x000002B6CC605BE0, 16 bytes long.
Data: <Hg`̶ > 48 67 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002B6CC606130, 16 bytes long.
Data: < g`̶ > 20 67 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B6CC605C80, 16 bytes long.
Data: <øf`̶ > F8 66 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B6CC6059B0, 16 bytes long.
Data: <Ðf`̶ > D0 66 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B6CC600550, 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 0x000002B6CC605960, 16 bytes long.
Data: < ó^̶ > 08 F3 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B6CC601A60, 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 0x000002B6CC6058C0, 16 bytes long.
Data: <àò^̶ > E0 F2 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B6CC605F50, 16 bytes long.
Data: <¸ò^̶ > B8 F2 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B6CC605910, 16 bytes long.
Data: < ò^̶ > 90 F2 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B6CC605A50, 16 bytes long.
Data: <hò^̶ > 68 F2 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B6CC606040, 16 bytes long.
Data: <@ò^̶ > 40 F2 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B6CC605B90, 16 bytes long.
Data: < ò^̶ > 18 F2 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B6CC6010A0, 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 0x000002B6CC6055A0, 16 bytes long.
Data: <ðñ^̶ > F0 F1 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B6CC5EF1F0, 320 bytes long.
Data: < U`̶   `̶ > A0 55 60 CC B6 02 00 00 A0 10 60 CC B6 02 00 00
{273} normal block at 0x000002B6CC6060E0, 16 bytes long.
Data: <°f`̶ > B0 66 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B6CC605870, 16 bytes long.
Data: < f`̶ > 88 66 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B6CC600F20, 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 0x000002B6CC6054B0, 16 bytes long.
Data: <`f`̶ > 60 66 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B6CC601760, 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 0x000002B6CC605820, 16 bytes long.
Data: <¨e`̶ > A8 65 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B6CC6061D0, 16 bytes long.
Data: < e`̶ > 80 65 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B6CC605500, 16 bytes long.
Data: <Xe`̶ > 58 65 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B6CC606400, 16 bytes long.
Data: <0e`̶ > 30 65 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B6CC606090, 16 bytes long.
Data: < e`̶ > 08 65 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B6CC605550, 16 bytes long.
Data: <àd`̶ > E0 64 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B6CC605780, 16 bytes long.
Data: <À `̶ > C0 05 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B6CC6005C0, 40 bytes long.
Data: < W`̶ »"ζ > 80 57 60 CC B6 02 00 00 80 BB 22 CE B6 02 00 00
{259} normal block at 0x000002B6CC6063B0, 16 bytes long.
Data: <Àd`̶ > C0 64 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002B6CC606270, 16 bytes long.
Data: < d`̶ > 98 64 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B6CC601040, 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 0x000002B6CC606360, 16 bytes long.
Data: <pd`̶ > 70 64 60 CC B6 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002B6CC606470, 992 bytes long.
Data: <`c`̶ @ `̶ > 60 63 60 CC B6 02 00 00 40 10 60 CC B6 02 00 00
{91} normal block at 0x000002B6CC600F80, 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 0x000002B6CC5FD8D0, 16 bytes long.
Data: <ðî^̶ > F0 EE 5E CC B6 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002B6CC5EEEF0, 40 bytes long.
Data: <ÐØ_̶ `̶ > D0 D8 5F CC B6 02 00 00 80 0F 60 CC B6 02 00 00
{68} normal block at 0x000002B6CC5FD5B0, 16 bytes long.
Data: < ê|®ö > 80 EA 7C AE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B6CC5FDBA0, 16 bytes long.
Data: <@é|®ö > 40 E9 7C AE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B6CC5FE050, 16 bytes long.
Data: <øWy®ö > F8 57 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B6CC5FDCE0, 16 bytes long.
Data: <ØWy®ö > D8 57 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B6CC5FDD30, 16 bytes long.
Data: <P y®ö > 50 04 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B6CC5FD470, 16 bytes long.
Data: <0 y®ö > 30 04 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B6CC5FD880, 16 bytes long.
Data: <à y®ö > E0 02 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B6CC5FD1F0, 16 bytes long.
Data: < y®ö > 10 04 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B6CC5FDC90, 16 bytes long.
Data: <p y®ö > 70 04 79 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002B6CC5FD7E0, 16 bytes long.
Data: < Àw®ö > 18 C0 77 AE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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