Task 38607033
| Name | hif2a_A04_A40_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND3429_2 |
| Workunit | 31560288 |
| Created | 14 Apr 2026, 8:31:52 UTC |
| Sent | 14 Apr 2026, 8:32:07 UTC |
| Report deadline | 19 Apr 2026, 8:32:07 UTC |
| Received | 14 Apr 2026, 13:28:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651881 |
| Run time | 4 hours 56 min 11 sec |
| CPU time | 4 hours 56 min 11 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 2,909.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 427.96 MB |
| Peak swap size | 6.39 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:33:58 (15756): wrapper (7.9.26016): starting
17:33:58 (15756): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A40_0.pdb
QB_A04_A40_0.xml
QB_A04_A40.inpcrd
QB_A04_A40_input.yaml
QB_A04_A40.pdb
QB_A04_A40.prmtop
QB_A04_A40_sys.xml
run.bat
run.sh
17:33:59 (15756): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:33:59 (15756): 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
22:28:19 (15756): C:/Windows/system32/cmd.exe exited; CPU time 17771.453125
22:28:19 (15756): 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: 226701905 bytes.
Dumping objects ->
{3835288} normal block at 0x000002AFBA11A5B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835277} normal block at 0x000002AFBA0F4E30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000002AFBA0F4DC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835255} normal block at 0x000002AFBA0F4D50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000002AFBA0F4C00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835213} normal block at 0x000002AFBC273500, 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) : {3835200} normal block at 0x000002AFBA0ED8F0, 8 bytes long.
Data: < oº¯ > 00 00 6F BA AF 02 00 00
{3834057} normal block at 0x000002AFBA0ED760, 8 bytes long.
Data: <`Ö º¯ > 60 D6 0D BA AF 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002AFBA0E1110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002AFBA0E1860, 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 0x000002AFBA0F5610, 16 bytes long.
Data: <(f º¯ > 28 66 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002AFBA0F5FC0, 16 bytes long.
Data: < f º¯ > 00 66 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002AFBA0F0AF0, 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 0x000002AFBA0F58E0, 16 bytes long.
Data: <Øe º¯ > D8 65 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AFBA0F61A0, 16 bytes long.
Data: <°e º¯ > B0 65 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002AFBA0F5570, 16 bytes long.
Data: < e º¯ > 88 65 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002AFBA0F5430, 16 bytes long.
Data: <`e º¯ > 60 65 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002AFBA0F4B90, 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 0x000002AFBA0F5890, 16 bytes long.
Data: < ³ º¯ > F8 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002AFBA0F1270, 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 0x000002AFBA0F5340, 16 bytes long.
Data: <г º¯ > D0 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AFBA0F5F70, 16 bytes long.
Data: <¨³ º¯ > A8 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AFBA0F5C00, 16 bytes long.
Data: < ³ º¯ > 80 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AFBA0F6010, 16 bytes long.
Data: <X³ º¯ > 58 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AFBA0F5CA0, 16 bytes long.
Data: <0³ º¯ > 30 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AFBA0F5BB0, 16 bytes long.
Data: < ³ º¯ > 08 B3 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002AFBA0F0850, 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 0x000002AFBA0F57F0, 16 bytes long.
Data: < ² º¯ > E0 B2 0D BA AF 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002AFBA0DB2E0, 320 bytes long.
Data: < W º¯ P º¯ > F0 57 0F BA AF 02 00 00 50 08 0F BA AF 02 00 00
{276} normal block at 0x000002AFBA0F5A20, 16 bytes long.
Data: <@e º¯ > 40 65 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002AFBA0F5D90, 16 bytes long.
Data: < e º¯ > 18 65 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002AFBA0F1090, 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 0x000002AFBA0F5E30, 16 bytes long.
Data: < d º¯ > F0 64 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002AFBA0F0970, 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 0x000002AFBA0F57A0, 16 bytes long.
Data: <8d º¯ > 38 64 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002AFBA0F5B60, 16 bytes long.
Data: < d º¯ > 10 64 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AFBA0F5AC0, 16 bytes long.
Data: < c º¯ > E8 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002AFBA0F5520, 16 bytes long.
Data: <Àc º¯ > C0 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AFBA0F55C0, 16 bytes long.
Data: < c º¯ > 98 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002AFBA0F5980, 16 bytes long.
Data: <pc º¯ > 70 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002AFBA0F5840, 16 bytes long.
Data: < K º¯ > 20 4B 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002AFBA0F4B20, 40 bytes long.
Data: <@X º¯ 5'¼¯ > 40 58 0F BA AF 02 00 00 00 35 27 BC AF 02 00 00
{262} normal block at 0x000002AFBA0F53E0, 16 bytes long.
Data: <Pc º¯ > 50 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002AFBA0F5700, 16 bytes long.
Data: <(c º¯ > 28 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002AFBA0F0A30, 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 0x000002AFBA0F5750, 16 bytes long.
Data: < c º¯ > 00 63 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002AFBA0F6300, 992 bytes long.
Data: <PW º¯ 0 º¯ > 50 57 0F BA AF 02 00 00 30 0A 0F BA AF 02 00 00
{94} normal block at 0x000002AFBA0F10F0, 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 0x000002AFBA0EDCB0, 16 bytes long.
Data: < º¯ > 10 06 0F BA AF 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002AFBA0F0610, 40 bytes long.
Data: <°Ü º¯ º¯ > B0 DC 0E BA AF 02 00 00 F0 10 0F BA AF 02 00 00
{69} normal block at 0x000002AFBA0EDD50, 16 bytes long.
Data: < t > 80 EA 74 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AFBA0EDD00, 16 bytes long.
Data: <@ t > 40 E9 74 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AFBA0ED490, 16 bytes long.
Data: < Wq > F8 57 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AFBA0ED440, 16 bytes long.
Data: <ØWq > D8 57 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AFBA0EDE40, 16 bytes long.
Data: <P q > 50 04 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AFBA0ED120, 16 bytes long.
Data: <0 q > 30 04 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AFBA0ED6C0, 16 bytes long.
Data: < q > E0 02 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002AFBA0EDE90, 16 bytes long.
Data: < q > 10 04 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002AFBA0EDA80, 16 bytes long.
Data: <p q > 70 04 71 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002AFBA0ED3F0, 16 bytes long.
Data: < Ào > 18 C0 6F 85 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra