Task 38627329
| Name | cdk8_A20_A26_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND6599_0 |
| Workunit | 31577324 |
| Created | 24 Apr 2026, 11:44:40 UTC |
| Sent | 24 Apr 2026, 12:12:41 UTC |
| Report deadline | 29 Apr 2026, 12:12:41 UTC |
| Received | 24 Apr 2026, 21:46:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638067 |
| Run time | 9 hours 20 min 51 sec |
| CPU time | 9 hours 12 min 30 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,125.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1,013.51 MB |
| Peak swap size | 13.31 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:26:12 (9700): wrapper (7.9.26016): starting
14:26:12 (9700): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A26_0.pdb
QB_A20_A26_0.xml
QB_A20_A26.inpcrd
QB_A20_A26_input.yaml
QB_A20_A26.pdb
QB_A20_A26.prmtop
QB_A20_A26_sys.xml
run.bat
run.sh
14:26:13 (9700): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:26:13 (9700): 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
23:45:55 (9700): C:/Windows/system32/cmd.exe exited; CPU time 33150.500000
23:45:55 (9700): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 937386933 bytes.
Dumping objects ->
{3835630} normal block at 0x000002128C23B6E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835619} normal block at 0x000002128C23B2F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835608} normal block at 0x000002128C23B520, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835597} normal block at 0x000002128C23B600, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835586} normal block at 0x000002128C23B910, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835555} normal block at 0x000002128DEBD560, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x000002128DED1D10, 102 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) : {3835541} normal block at 0x000002128C20B690, 8 bytes long.
Data: < Π> 00 00 1E 8C 12 02 00 00
{3834759} normal block at 0x000002128DED16E0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833985} normal block at 0x000002128C20BA50, 8 bytes long.
Data: <pmñ > 70 6D F1 8D 12 02 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000002128C2023E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000002128C1FF660, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x000002128C218480, 16 bytes long.
Data: <h !Π> 68 88 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002128C218430, 16 bytes long.
Data: <@ !Π> 40 88 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000002128C210230, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x000002128C2182F0, 16 bytes long.
Data: < !Π> 18 88 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002128C217940, 16 bytes long.
Data: <ð‡!Œ > F0 87 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002128C218390, 16 bytes long.
Data: <ȇ!Œ > C8 87 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002128C218070, 16 bytes long.
Data: < ‡!Œ > A0 87 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002128C2125B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x000002128C2180C0, 16 bytes long.
Data: <¸ Œ > B8 0B 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002128C210770, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x000002128C217580, 16 bytes long.
Data: < Π> 90 0B 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002128C2175D0, 16 bytes long.
Data: <h Π> 68 0B 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002128C218200, 16 bytes long.
Data: <@ Π> 40 0B 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002128C2182A0, 16 bytes long.
Data: < Π> 18 0B 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002128C217A80, 16 bytes long.
Data: <ð Œ > F0 0A 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002128C217DA0, 16 bytes long.
Data: <È Œ > C8 0A 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002128C210C50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x000002128C2178F0, 16 bytes long.
Data: <  Œ > A0 0A 20 8C 12 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002128C200AA0, 320 bytes long.
Data: <ðx!Œ P !Œ > F0 78 21 8C 12 02 00 00 50 0C 21 8C 12 02 00 00
{288} normal block at 0x000002128C217620, 16 bytes long.
Data: < ‡!Œ > 80 87 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002128C217EE0, 16 bytes long.
Data: <X‡!Œ > 58 87 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002128C210CB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x000002128C217F30, 16 bytes long.
Data: <0‡!Œ > 30 87 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002128C210AD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x000002128C217FD0, 16 bytes long.
Data: <x†!Œ > 78 86 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002128C2184D0, 16 bytes long.
Data: <P†!Œ > 50 86 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002128C217E90, 16 bytes long.
Data: <(†!Œ > 28 86 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002128C218020, 16 bytes long.
Data: < †!Œ > 00 86 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002128C2183E0, 16 bytes long.
Data: <Ø…!Œ > D8 85 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002128C217800, 16 bytes long.
Data: <°…!Œ > B0 85 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002128C2177B0, 16 bytes long.
Data: <p'!Π> 70 27 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002128C212770, 40 bytes long.
Data: <°w!Œ `Õë > B0 77 21 8C 12 02 00 00 60 D5 EB 8D 12 02 00 00
{274} normal block at 0x000002128C217A30, 16 bytes long.
Data: < …!Œ > 90 85 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002128C218160, 16 bytes long.
Data: <h…!Œ > 68 85 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002128C2108F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x000002128C217C10, 16 bytes long.
Data: <@…!Œ > 40 85 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002128C218540, 992 bytes long.
Data: < |!Œ ð !Œ > 10 7C 21 8C 12 02 00 00 F0 08 21 8C 12 02 00 00
{106} normal block at 0x000002128C210890, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x000002128C20B640, 16 bytes long.
Data: <@%!Π> 40 25 21 8C 12 02 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000002128C212540, 40 bytes long.
Data: <@¶ Œ !Œ > 40 B6 20 8C 12 02 00 00 90 08 21 8C 12 02 00 00
{83} normal block at 0x000002128C20B0A0, 16 bytes long.
Data: < ê$7ö > 80 EA 24 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002128C20B230, 16 bytes long.
Data: <@é$7ö > 40 E9 24 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002128C20B5F0, 16 bytes long.
Data: <øW!7ö > F8 57 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002128C20B050, 16 bytes long.
Data: <ØW!7ö > D8 57 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002128C20B410, 16 bytes long.
Data: <P !7ö > 50 04 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002128C20B5A0, 16 bytes long.
Data: <0 !7ö > 30 04 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002128C20B960, 16 bytes long.
Data: <à !7ö > E0 02 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002128C20B280, 16 bytes long.
Data: < !7ö > 10 04 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002128C20B6E0, 16 bytes long.
Data: <p !7ö > 70 04 21 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002128C20B3C0, 16 bytes long.
Data: < À 7ö > 18 C0 1F 37 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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