Task 38600987
| Name | PTP1B_A14_A03_r0_4-QUICO_ATM_GAFF2_NAGL_PTP1B-3-6-RND1163_0 |
| Workunit | 31555625 |
| Created | 9 Apr 2026, 9:11:09 UTC |
| Sent | 9 Apr 2026, 9:11:10 UTC |
| Report deadline | 14 Apr 2026, 9:11:10 UTC |
| Received | 9 Apr 2026, 12:01:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651810 |
| Run time | 2 hours 50 min 33 sec |
| CPU time | 2 hours 54 min 33 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 31,247.49 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 652.08 MB |
| Peak swap size | 12.80 GB |
| Peak disk usage | 3.00 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:11:55 (7672): wrapper (7.9.26016): starting
11:11:55 (7672): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A03_0.pdb
QB_A14_A03_0.xml
QB_A14_A03.inpcrd
QB_A14_A03_input.yaml
QB_A14_A03.pdb
QB_A14_A03.prmtop
QB_A14_A03_sys.xml
run.bat
run.sh
11:11:56 (7672): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:11:56 (7672): 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
14:01:22 (7672): C:/Windows/system32/cmd.exe exited; CPU time 10473.234375
14:01:22 (7672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 144823795 bytes.
Dumping objects ->
{3835236} normal block at 0x0000019C4CBCDBD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x0000019C4CBCE570, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x0000019C4CBCE260, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x0000019C4AD55310, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000019C4AD558C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x0000019C4CC197B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835148} normal block at 0x0000019C4AD4E1E0, 8 bytes long.
Data: < &Kœ > 00 00 26 4B 9C 01 00 00
{3833961} normal block at 0x0000019C4AD4D880, 8 bytes long.
Data: < UÇLœ > A0 55 C7 4C 9C 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019C4AD41570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019C4AD41E50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000019C4AD56460, 16 bytes long.
Data: <¸pÕJœ > B8 70 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019C4AD56550, 16 bytes long.
Data: < pÕJœ > 90 70 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019C4AD4FFE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000019C4AD56410, 16 bytes long.
Data: <hpÕJœ > 68 70 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019C4AD56780, 16 bytes long.
Data: <@pÕJœ > 40 70 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019C4AD56730, 16 bytes long.
Data: < pÕJœ > 18 70 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019C4AD55EC0, 16 bytes long.
Data: <ðoÕJœ > F0 6F D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019C4AD554D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000019C4AD56D20, 16 bytes long.
Data: <HõÓJœ > 48 F5 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019C4AD4FF80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000019C4AD55E70, 16 bytes long.
Data: < õÓJœ > 20 F5 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019C4AD55E20, 16 bytes long.
Data: <øôÓJœ > F8 F4 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019C4AD55FB0, 16 bytes long.
Data: <ÐôÓJœ > D0 F4 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019C4AD563C0, 16 bytes long.
Data: <¨ôÓJœ > A8 F4 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019C4AD566E0, 16 bytes long.
Data: < ôÓJœ > 80 F4 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019C4AD56280, 16 bytes long.
Data: <XôÓJœ > 58 F4 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019C4AD4FA40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000019C4AD56CD0, 16 bytes long.
Data: <0ôÓJœ > 30 F4 D3 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019C4AD3F430, 320 bytes long.
Data: <ÐlÕJœ @úÔJœ > D0 6C D5 4A 9C 01 00 00 40 FA D4 4A 9C 01 00 00
{276} normal block at 0x0000019C4AD564B0, 16 bytes long.
Data: <ÐoÕJœ > D0 6F D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019C4AD56230, 16 bytes long.
Data: <¨oÕJœ > A8 6F D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019C4AD503A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000019C4AD56640, 16 bytes long.
Data: < oÕJœ > 80 6F D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019C4AD4FB60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000019C4AD56910, 16 bytes long.
Data: <ÈnÕJœ > C8 6E D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019C4AD56C80, 16 bytes long.
Data: < nÕJœ > A0 6E D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019C4AD56370, 16 bytes long.
Data: <xnÕJœ > 78 6E D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019C4AD56500, 16 bytes long.
Data: <PnÕJœ > 50 6E D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019C4AD565A0, 16 bytes long.
Data: <(nÕJœ > 28 6E D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019C4AD56320, 16 bytes long.
Data: < nÕJœ > 00 6E D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019C4AD55DD0, 16 bytes long.
Data: <°UÕJœ > B0 55 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019C4AD555B0, 40 bytes long.
Data: <Ð]ÕJœ °—ÁLœ > D0 5D D5 4A 9C 01 00 00 B0 97 C1 4C 9C 01 00 00
{262} normal block at 0x0000019C4AD55F60, 16 bytes long.
Data: <àmÕJœ > E0 6D D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019C4AD56820, 16 bytes long.
Data: <¸mÕJœ > B8 6D D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019C4AD50400, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000019C4AD56140, 16 bytes long.
Data: < mÕJœ > 90 6D D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019C4AD56D90, 992 bytes long.
Data: <@aÕJœ ÕJœ > 40 61 D5 4A 9C 01 00 00 00 04 D5 4A 9C 01 00 00
{94} normal block at 0x0000019C4AD4F920, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000019C4AD4E0F0, 16 bytes long.
Data: < WÕJœ > 00 57 D5 4A 9C 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000019C4AD55700, 40 bytes long.
Data: <ðàÔJœ ùÔJœ > F0 E0 D4 4A 9C 01 00 00 20 F9 D4 4A 9C 01 00 00
{71} normal block at 0x0000019C4AD4E0A0, 16 bytes long.
Data: < ê áö > 80 EA 80 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019C4AD4D830, 16 bytes long.
Data: <@é áö > 40 E9 80 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019C4AD4D6A0, 16 bytes long.
Data: <øW}áö > F8 57 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019C4AD4E280, 16 bytes long.
Data: <ØW}áö > D8 57 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019C4AD4DBA0, 16 bytes long.
Data: <P }áö > 50 04 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019C4AD4E050, 16 bytes long.
Data: <0 }áö > 30 04 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019C4AD4D650, 16 bytes long.
Data: <à }áö > E0 02 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019C4AD4E230, 16 bytes long.
Data: < }áö > 10 04 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019C4AD4E140, 16 bytes long.
Data: <p }áö > 70 04 7D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019C4AD4D7E0, 16 bytes long.
Data: < À{áö > 18 C0 7B E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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