Task 38638621
| Name | p38_3_A15_A03_r0_4-QUICO_ATM_OpenFF_NAGL_p38_3-3-6-RND7686_0 |
| Workunit | 31586383 |
| Created | 30 Apr 2026, 8:35:52 UTC |
| Sent | 30 Apr 2026, 8:35:58 UTC |
| Report deadline | 5 May 2026, 8:35:58 UTC |
| Received | 1 May 2026, 2:02:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613742 |
| Run time | 3 hours 56 min 23 sec |
| CPU time | 3 hours 55 min 47 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 33,171.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 688.21 MB |
| Peak swap size | 5.45 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:05:26 (12676): wrapper (7.9.26016): starting
01:05:26 (12676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A03_0.pdb
QB_A15_A03_0.xml
QB_A15_A03.inpcrd
QB_A15_A03_input.yaml
QB_A15_A03.pdb
QB_A15_A03.prmtop
QB_A15_A03_sys.xml
run.bat
run.sh
01:05:27 (12676): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:05:27 (12676): 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\9\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\9\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
05:01:06 (12676): C:/Windows/system32/cmd.exe exited; CPU time 14147.718750
05:01:06 (12676): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 185662843 bytes.
Dumping objects ->
{3835233} normal block at 0x000002684A310BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000002684A311090, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000002684A3114F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835200} normal block at 0x000002684A311410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000002684A311560, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835158} normal block at 0x000002684A40DEC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x00000268489F55A0, 140 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) : {3835144} normal block at 0x00000268489AAD30, 8 bytes long.
Data: < ”Hh > 00 00 94 48 68 02 00 00
{3834542} normal block at 0x00000268489F5740, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000268489AB140, 8 bytes long.
Data: <@L Hh > 40 4C 99 48 68 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026848994520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026848996350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000268489AB000, 16 bytes long.
Data: <È¿šHh > C8 BF 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000268489AAFB0, 16 bytes long.
Data: < ¿šHh > A0 BF 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000268489A74E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000268489ABB90, 16 bytes long.
Data: <x¿šHh > 78 BF 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000268489AB410, 16 bytes long.
Data: <P¿šHh > 50 BF 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000268489AB320, 16 bytes long.
Data: <(¿šHh > 28 BF 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000268489AAF60, 16 bytes long.
Data: < ¿šHh > 00 BF 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000268489A68B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000268489ABAF0, 16 bytes long.
Data: <ÈA Hh > C8 41 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000268489A7300, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000268489ABA00, 16 bytes long.
Data: < A Hh > A0 41 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000268489AB9B0, 16 bytes long.
Data: <xA Hh > 78 41 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000268489AB8C0, 16 bytes long.
Data: <PA Hh > 50 41 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000268489AB960, 16 bytes long.
Data: <(A Hh > 28 41 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000268489AB2D0, 16 bytes long.
Data: < A Hh > 00 41 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000268489AB280, 16 bytes long.
Data: <Ø@ Hh > D8 40 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000268489A6E80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000268489AAE20, 16 bytes long.
Data: <°@ Hh > B0 40 99 48 68 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000268489940B0, 320 bytes long.
Data: < ®šHh nšHh > 20 AE 9A 48 68 02 00 00 80 6E 9A 48 68 02 00 00
{274} normal block at 0x00000268489AB1E0, 16 bytes long.
Data: <ྚHh > E0 BE 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000268489AB820, 16 bytes long.
Data: <¸¾šHh > B8 BE 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000268489A77E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000268489AADD0, 16 bytes long.
Data: < ¾šHh > 90 BE 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000268489A6E20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000268489ABBE0, 16 bytes long.
Data: <ؽšHh > D8 BD 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000268489ABB40, 16 bytes long.
Data: <°½šHh > B0 BD 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000268489AB6E0, 16 bytes long.
Data: < ½šHh > 88 BD 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000268489AB230, 16 bytes long.
Data: <`½šHh > 60 BD 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000268489AB7D0, 16 bytes long.
Data: <8½šHh > 38 BD 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000268489ABAA0, 16 bytes long.
Data: < ½šHh > 10 BD 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000268489AB050, 16 bytes long.
Data: <ÀkšHh > C0 6B 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000268489A6BC0, 40 bytes long.
Data: <P°šHh ÀÞ@Jh > 50 B0 9A 48 68 02 00 00 C0 DE 40 4A 68 02 00 00
{260} normal block at 0x00000268489AB640, 16 bytes long.
Data: <ð¼šHh > F0 BC 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000268489AAEC0, 16 bytes long.
Data: <ȼšHh > C8 BC 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000268489A7120, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000268489AAE70, 16 bytes long.
Data: < ¼šHh > A0 BC 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000268489ABCA0, 992 bytes long.
Data: <p®šHh qšHh > 70 AE 9A 48 68 02 00 00 20 71 9A 48 68 02 00 00
{92} normal block at 0x00000268489A7960, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002684899F250, 16 bytes long.
Data: < išHh > 20 69 9A 48 68 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000268489A6920, 40 bytes long.
Data: <Pò Hh `yšHh > 50 F2 99 48 68 02 00 00 60 79 9A 48 68 02 00 00
{69} normal block at 0x000002684899F840, 16 bytes long.
Data: < ê Á÷ > 80 EA 17 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002684899F7A0, 16 bytes long.
Data: <@é Á÷ > 40 E9 17 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002684899F700, 16 bytes long.
Data: <øW Á÷ > F8 57 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002684899F200, 16 bytes long.
Data: <ØW Á÷ > D8 57 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002684899FD90, 16 bytes long.
Data: <P Á÷ > 50 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002684899F520, 16 bytes long.
Data: <0 Á÷ > 30 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002684899F1B0, 16 bytes long.
Data: <à Á÷ > E0 02 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002684899FD40, 16 bytes long.
Data: < Á÷ > 10 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002684899FB10, 16 bytes long.
Data: <p Á÷ > 70 04 14 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002684899FCA0, 16 bytes long.
Data: < À Á÷ > 18 C0 12 C1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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