Task 38598441
| Name | PTP1B_A21_A19_r0_5-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND3809_4 |
| Workunit | 31553663 |
| Created | 8 Apr 2026, 9:50:40 UTC |
| Sent | 8 Apr 2026, 9:52:20 UTC |
| Report deadline | 13 Apr 2026, 9:52:20 UTC |
| Received | 8 Apr 2026, 15:28:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 429162 |
| Run time | 5 hours 31 min 39 sec |
| CPU time | 5 hours 12 min 33 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,282.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 543.82 MB |
| Peak swap size | 3.64 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:58:17 (8364): wrapper (7.9.26016): starting
11:58:17 (8364): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A19_0.pdb
QB_A21_A19_0.xml
QB_A21_A19.inpcrd
QB_A21_A19_input.yaml
QB_A21_A19.pdb
QB_A21_A19.prmtop
QB_A21_A19_sys.xml
run.bat
run.sh
11:58:19 (8364): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:58:19 (8364): 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 'D:\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 'D:\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
17:28:29 (8364): C:/Windows/system32/cmd.exe exited; CPU time 18753.937500
17:28:29 (8364): 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: 331075992 bytes.
Dumping objects ->
{3835280} normal block at 0x000001CF08520D10, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x000001CF08521480, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x000001CF085207D0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x000001CF08520FB0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000001CF08520F40, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x000001CF08707FE0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001CF08721120, 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) : {3835191} normal block at 0x000001CF06BAD180, 8 bytes long.
Data: < ´ Ï > 00 00 B4 06 CF 01 00 00
{3834566} normal block at 0x000001CF08720C20, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001CF06BAC9B0, 8 bytes long.
Data: <ðŒv Ï > F0 8C 76 08 CF 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CF06BB6540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CF06BA1CD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001CF06BB7800, 16 bytes long.
Data: <¨ » Ï > A8 8D BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CF06BB8390, 16 bytes long.
Data: < » Ï > 80 8D BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CF06BB2100, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001CF06BB7E90, 16 bytes long.
Data: <X » Ï > 58 8D BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CF06BB8200, 16 bytes long.
Data: <0 » Ï > 30 8D BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CF06BB7C60, 16 bytes long.
Data: < » Ï > 08 8D BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CF06BB7710, 16 bytes long.
Data: <àŒ» Ï > E0 8C BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CF06BB1050, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001CF06BB7E40, 16 bytes long.
Data: <( º Ï > 28 0F BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CF06BB1E00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001CF06BB7C10, 16 bytes long.
Data: < º Ï > 00 0F BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CF06BB7DF0, 16 bytes long.
Data: <Ø º Ï > D8 0E BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CF06BB8570, 16 bytes long.
Data: <° º Ï > B0 0E BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CF06BB7BC0, 16 bytes long.
Data: < º Ï > 88 0E BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CF06BB80C0, 16 bytes long.
Data: <` º Ï > 60 0E BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CF06BB7DA0, 16 bytes long.
Data: <8 º Ï > 38 0E BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CF06BB1DA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001CF06BB7F30, 16 bytes long.
Data: < º Ï > 10 0E BA 06 CF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CF06BA0E10, 320 bytes long.
Data: <0 » Ï   » Ï > 30 7F BB 06 CF 01 00 00 A0 1D BB 06 CF 01 00 00
{275} normal block at 0x000001CF06BB7A30, 16 bytes long.
Data: <ÀŒ» Ï > C0 8C BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CF06BB77B0, 16 bytes long.
Data: < Œ» Ï > 98 8C BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CF06BB24C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001CF06BB8070, 16 bytes long.
Data: <pŒ» Ï > 70 8C BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CF06BB1C20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001CF06BB84D0, 16 bytes long.
Data: <¸‹» Ï > B8 8B BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CF06BB8480, 16 bytes long.
Data: < ‹» Ï > 90 8B BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CF06BB85C0, 16 bytes long.
Data: <h‹» Ï > 68 8B BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CF06BB81B0, 16 bytes long.
Data: <@‹» Ï > 40 8B BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CF06BB8020, 16 bytes long.
Data: < ‹» Ï > 18 8B BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CF06BB8430, 16 bytes long.
Data: <ðŠ» Ï > F0 8A BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CF06BB7B70, 16 bytes long.
Data: <` » Ï > 60 13 BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CF06BB1360, 40 bytes long.
Data: <p{» Ï à p Ï > 70 7B BB 06 CF 01 00 00 E0 7F 70 08 CF 01 00 00
{261} normal block at 0x000001CF06BB7EE0, 16 bytes long.
Data: <Њ» Ï > D0 8A BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CF06BB82A0, 16 bytes long.
Data: <¨Š» Ï > A8 8A BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CF06BB1F80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001CF06BB8340, 16 bytes long.
Data: < Š» Ï > 80 8A BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CF06BB8A80, 992 bytes long.
Data: <@ƒ» Ï » Ï > 40 83 BB 06 CF 01 00 00 80 1F BB 06 CF 01 00 00
{93} normal block at 0x000001CF06BB1860, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001CF06BACF00, 16 bytes long.
Data: <p » Ï > 70 16 BB 06 CF 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001CF06BB1670, 40 bytes long.
Data: < Ϻ Ï ` » Ï > 00 CF BA 06 CF 01 00 00 60 18 BB 06 CF 01 00 00
{70} normal block at 0x000001CF06BAC6E0, 16 bytes long.
Data: < ê Wö > 80 EA 1F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CF06BACE10, 16 bytes long.
Data: <@é Wö > 40 E9 1F 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CF06BAD270, 16 bytes long.
Data: <øW Wö > F8 57 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CF06BACDC0, 16 bytes long.
Data: <ØW Wö > D8 57 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CF06BAD400, 16 bytes long.
Data: <P Wö > 50 04 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CF06BAC690, 16 bytes long.
Data: <0 Wö > 30 04 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CF06BAC910, 16 bytes long.
Data: <à Wö > E0 02 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CF06BAC640, 16 bytes long.
Data: < Wö > 10 04 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CF06BAC500, 16 bytes long.
Data: <p Wö > 70 04 1C 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CF06BAC8C0, 16 bytes long.
Data: < À Wö > 18 C0 1A 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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