Task 38620954
| Name | p38_2_A09_A08_r0_4-QUICO_ATM_OpenFF_NAGL_p38_2-4-6-RND0646_0 |
| Workunit | 31572045 |
| Created | 19 Apr 2026, 14:05:19 UTC |
| Sent | 19 Apr 2026, 14:05:22 UTC |
| Report deadline | 24 Apr 2026, 14:05:22 UTC |
| Received | 20 Apr 2026, 14:47:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 594178 |
| Run time | 7 hours 45 min 14 sec |
| CPU time | 4 hours 12 min 57 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,495.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.41 MB |
| Peak swap size | 9.87 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
03:02:15 (1678772): wrapper (7.9.26016): starting
03:02:15 (1678772): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A08_0.pdb
QB_A09_A08_0.xml
QB_A09_A08.inpcrd
QB_A09_A08_input.yaml
QB_A09_A08.pdb
QB_A09_A08.prmtop
QB_A09_A08_sys.xml
run.bat
run.sh
03:02:17 (1678772): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:02:17 (1678772): 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
10:47:22 (1678772): C:/Windows/system32/cmd.exe exited; CPU time 15177.703125
10:47:22 (1678772): 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: 412440241 bytes.
Dumping objects ->
{3835280} normal block at 0x000001E722360AE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x000001E7223613A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x000001E722360F40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x000001E722361410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000001E7223616B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x000001E72240E370, 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) : {3835192} normal block at 0x000001E72076CD70, 8 bytes long.
Data: < "ç > 00 00 11 22 E7 01 00 00
{3833957} normal block at 0x000001E72076D360, 8 bytes long.
Data: < R"ç > 00 98 52 22 E7 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E720761630, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E720760D70, 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 0x000001E7207764D0, 16 bytes long.
Data: <x w ç > 78 13 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E720775F80, 16 bytes long.
Data: <P w ç > 50 13 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E72076FD90, 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 0x000001E720776610, 16 bytes long.
Data: <( w ç > 28 13 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E7207765C0, 16 bytes long.
Data: < w ç > 00 13 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E720775800, 16 bytes long.
Data: <Ø w ç > D8 12 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E720775F30, 16 bytes long.
Data: <° w ç > B0 12 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E72076F5B0, 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 0x000001E720775DA0, 16 bytes long.
Data: <Øýu ç > D8 FD 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E7207704B0, 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 0x000001E720775D50, 16 bytes long.
Data: <°ýu ç > B0 FD 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E720776480, 16 bytes long.
Data: < ýu ç > 88 FD 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E7207762F0, 16 bytes long.
Data: <`ýu ç > 60 FD 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E720775CB0, 16 bytes long.
Data: <8ýu ç > 38 FD 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E7207759E0, 16 bytes long.
Data: < ýu ç > 10 FD 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E720775C10, 16 bytes long.
Data: <èüu ç > E8 FC 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E720770450, 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 0x000001E720776430, 16 bytes long.
Data: <Àüu ç > C0 FC 75 20 E7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E72075FCC0, 320 bytes long.
Data: <0dw ç P w ç > 30 64 77 20 E7 01 00 00 50 04 77 20 E7 01 00 00
{274} normal block at 0x000001E720775EE0, 16 bytes long.
Data: < w ç > 90 12 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E720775760, 16 bytes long.
Data: <h w ç > 68 12 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E720770150, 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 0x000001E720776250, 16 bytes long.
Data: <@ w ç > 40 12 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E720770270, 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 0x000001E720775C60, 16 bytes long.
Data: < w ç > 88 11 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E720776390, 16 bytes long.
Data: <` w ç > 60 11 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E720776520, 16 bytes long.
Data: <8 w ç > 38 11 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E720775D00, 16 bytes long.
Data: < w ç > 10 11 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E720776200, 16 bytes long.
Data: <è w ç > E8 10 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E7207763E0, 16 bytes long.
Data: <À w ç > C0 10 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E7207762A0, 16 bytes long.
Data: <ðóv ç > F0 F3 76 20 E7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E72076F3F0, 40 bytes long.
Data: < bw ç pã@"ç > A0 62 77 20 E7 01 00 00 70 E3 40 22 E7 01 00 00
{260} normal block at 0x000001E720775B70, 16 bytes long.
Data: <  w ç > A0 10 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E720776020, 16 bytes long.
Data: <x w ç > 78 10 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E72076FEB0, 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 0x000001E7207758F0, 16 bytes long.
Data: <P w ç > 50 10 77 20 E7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E720771050, 992 bytes long.
Data: <ðXw ç °þv ç > F0 58 77 20 E7 01 00 00 B0 FE 76 20 E7 01 00 00
{92} normal block at 0x000001E7207700F0, 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 0x000001E72076CF50, 16 bytes long.
Data: <pðv ç > 70 F0 76 20 E7 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E72076F070, 40 bytes long.
Data: <PÏv ç ð w ç > 50 CF 76 20 E7 01 00 00 F0 00 77 20 E7 01 00 00
{69} normal block at 0x000001E72076CCD0, 16 bytes long.
Data: < êm¢ö > 80 EA 6D A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E72076D130, 16 bytes long.
Data: <@ém¢ö > 40 E9 6D A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E72076D310, 16 bytes long.
Data: <øWj¢ö > F8 57 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E72076D590, 16 bytes long.
Data: <ØWj¢ö > D8 57 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E72076D540, 16 bytes long.
Data: <P j¢ö > 50 04 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E72076CDC0, 16 bytes long.
Data: <0 j¢ö > 30 04 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E72076DB80, 16 bytes long.
Data: <à j¢ö > E0 02 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E72076D450, 16 bytes long.
Data: < j¢ö > 10 04 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E72076D4A0, 16 bytes long.
Data: <p j¢ö > 70 04 6A A2 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E72076DB30, 16 bytes long.
Data: < Àh¢ö > 18 C0 68 A2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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