Task 38600971
| Name | PTP1B_A08_A07_r0_4-QUICO_ATM_GAFF2_NAGL_PTP1B-3-6-RND2786_0 |
| Workunit | 31555612 |
| Created | 9 Apr 2026, 9:03:23 UTC |
| Sent | 9 Apr 2026, 9:03:36 UTC |
| Report deadline | 14 Apr 2026, 9:03:36 UTC |
| Received | 9 Apr 2026, 21:03:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649650 |
| Run time | 5 hours 25 min 51 sec |
| CPU time | 5 hours 1 min 13 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,154.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 538.59 MB |
| Peak swap size | 12.72 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:23:38 (2804): wrapper (7.9.26016): starting
10:23:38 (2804): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A07_0.pdb
QB_A08_A07_0.xml
QB_A08_A07.inpcrd
QB_A08_A07_input.yaml
QB_A08_A07.pdb
QB_A08_A07.prmtop
QB_A08_A07_sys.xml
run.bat
run.sh
10:23:39 (2804): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:23:39 (2804): 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
15:48:49 (2804): C:/Windows/system32/cmd.exe exited; CPU time 18073.328125
15:48:49 (2804): 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: 242092129 bytes.
Dumping objects ->
{3835566} normal block at 0x000001B535863BE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835555} normal block at 0x000001B535863DA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x000001B535863A20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835533} normal block at 0x000001B535863A90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835522} normal block at 0x000001B535863C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835491} normal block at 0x000001B537675010, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x000001B5375FF200, 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) : {3835477} normal block at 0x000001B53585D4B0, 8 bytes long.
Data: < ~5µ > 00 00 7E 35 B5 01 00 00
{3834701} normal block at 0x000001B53584B5D0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000001B53585CCE0, 8 bytes long.
Data: <PÖh7µ > 50 D6 68 37 B5 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001B535850D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B535851A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001B535864FF0, 16 bytes long.
Data: <(]†5µ > 28 5D 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B535864CD0, 16 bytes long.
Data: < ]†5µ > 00 5D 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B535861140, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001B535864EB0, 16 bytes long.
Data: <Ø\†5µ > D8 5C 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B535864B90, 16 bytes long.
Data: <°\†5µ > B0 5C 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B535864870, 16 bytes long.
Data: < \†5µ > 88 5C 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B535864820, 16 bytes long.
Data: <`\†5µ > 60 5C 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B53584D080, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001B535864C80, 16 bytes long.
Data: < Ä5µ > 08 C3 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B535861020, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001B5358652C0, 16 bytes long.
Data: <à„5µ > E0 C2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B535865040, 16 bytes long.
Data: <¸Â„5µ > B8 C2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B5358648C0, 16 bytes long.
Data: < „5µ > 90 C2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B535865540, 16 bytes long.
Data: <h„5µ > 68 C2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B5358654F0, 16 bytes long.
Data: <@„5µ > 40 C2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B535864640, 16 bytes long.
Data: < „5µ > 18 C2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B535860EA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001B535864A00, 16 bytes long.
Data: <ðÁ„5µ > F0 C1 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B53584C1F0, 320 bytes long.
Data: < J†5µ   †5µ > 00 4A 86 35 B5 01 00 00 A0 0E 86 35 B5 01 00 00
{272} normal block at 0x000001B535864E60, 16 bytes long.
Data: <@\†5µ > 40 5C 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B5358651D0, 16 bytes long.
Data: < \†5µ > 18 5C 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B535860F00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001B535865590, 16 bytes long.
Data: <ð[†5µ > F0 5B 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B5358605A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001B535865450, 16 bytes long.
Data: <8[†5µ > 38 5B 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B535864D20, 16 bytes long.
Data: < [†5µ > 10 5B 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B535865310, 16 bytes long.
Data: <èZ†5µ > E8 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B5358649B0, 16 bytes long.
Data: <ÀZ†5µ > C0 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B535864F50, 16 bytes long.
Data: < Z†5µ > 98 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B5358647D0, 16 bytes long.
Data: <pZ†5µ > 70 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B535865270, 16 bytes long.
Data: <P¾„5µ > 50 BE 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B53584BE50, 40 bytes long.
Data: <pR†5µ Pg7µ > 70 52 86 35 B5 01 00 00 10 50 67 37 B5 01 00 00
{258} normal block at 0x000001B5358654A0, 16 bytes long.
Data: <PZ†5µ > 50 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B535865400, 16 bytes long.
Data: <(Z†5µ > 28 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B535861080, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001B535865130, 16 bytes long.
Data: < Z†5µ > 00 5A 86 35 B5 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001B535865A00, 992 bytes long.
Data: <0Q†5µ †5µ > 30 51 86 35 B5 01 00 00 80 10 86 35 B5 01 00 00
{90} normal block at 0x000001B535860360, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001B53585D960, 16 bytes long.
Data: < â„5µ > A0 E2 84 35 B5 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001B53584E2A0, 40 bytes long.
Data: <`Ù…5µ ` †5µ > 60 D9 85 35 B5 01 00 00 60 03 86 35 B5 01 00 00
{67} normal block at 0x000001B53585CC40, 16 bytes long.
Data: < ê ñ÷ > 80 EA 10 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B53585D410, 16 bytes long.
Data: <@é ñ÷ > 40 E9 10 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B53585D140, 16 bytes long.
Data: <øW ñ÷ > F8 57 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B53585D1E0, 16 bytes long.
Data: <ØW ñ÷ > D8 57 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B53585D8C0, 16 bytes long.
Data: <P ñ÷ > 50 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B53585D460, 16 bytes long.
Data: <0 ñ÷ > 30 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B53585D910, 16 bytes long.
Data: <à ñ÷ > E0 02 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B53585CDD0, 16 bytes long.
Data: < ñ÷ > 10 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B53585CEC0, 16 bytes long.
Data: <p ñ÷ > 70 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B53585CD80, 16 bytes long.
Data: < À ñ÷ > 18 C0 0B F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra