Task 38620716
| Name | p38_2_A27_A26_r0_1-QUICO_ATM_OpenFF_NAGL_p38_2-2-6-RND8025_0 |
| Workunit | 31571836 |
| Created | 19 Apr 2026, 11:32:37 UTC |
| Sent | 19 Apr 2026, 11:32:44 UTC |
| Report deadline | 24 Apr 2026, 11:32:44 UTC |
| Received | 20 Apr 2026, 13:16:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640525 |
| Run time | 4 hours 15 min 22 sec |
| CPU time | 4 hours 15 min 22 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,684.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.61 MB |
| Peak swap size | 9.96 GB |
| Peak disk usage | 3.10 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:40:16 (35892): wrapper (7.9.26016): starting
07:40:16 (35892): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A26_0.pdb
QB_A27_A26_0.xml
QB_A27_A26.inpcrd
QB_A27_A26_input.yaml
QB_A27_A26.pdb
QB_A27_A26.prmtop
QB_A27_A26_sys.xml
run.bat
run.sh
07:40:18 (35892): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:40:18 (35892): 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\30\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\30\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
12:03:17 (35892): C:/Windows/system32/cmd.exe exited; CPU time 15322.062500
12:03:17 (35892): 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: 268770167 bytes.
Dumping objects ->
{3835195} normal block at 0x000002642F83CDF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x000002642F83CA70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x000002642F83D090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835162} normal block at 0x000002642DA90AF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x000002642DA90850, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835120} normal block at 0x000002642F88A6C0, 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) : {3835107} normal block at 0x000002642DA8DB90, 8 bytes long.
Data: < £-d > 00 00 A3 2D 64 02 00 00
{3833957} normal block at 0x000002642DA8DAF0, 8 bytes long.
Data: < PŽ/d > 10 50 8E 2F 64 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002642DA81000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002642DA826C0, 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 0x000002642DA96090, 16 bytes long.
Data: <Èi©-d > C8 69 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002642DA96040, 16 bytes long.
Data: < i©-d > A0 69 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002642DA90DC0, 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 0x000002642DA95FF0, 16 bytes long.
Data: <xi©-d > 78 69 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002642DA95DC0, 16 bytes long.
Data: <Pi©-d > 50 69 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002642DA95730, 16 bytes long.
Data: <(i©-d > 28 69 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002642DA96270, 16 bytes long.
Data: < i©-d > 00 69 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002642DA90690, 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 0x000002642DA95C30, 16 bytes long.
Data: <¨ó§-d > A8 F3 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002642DA90D60, 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 0x000002642DA95B40, 16 bytes long.
Data: < ó§-d > 80 F3 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002642DA95D70, 16 bytes long.
Data: <Xó§-d > 58 F3 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002642DA965E0, 16 bytes long.
Data: <0ó§-d > 30 F3 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002642DA95FA0, 16 bytes long.
Data: < ó§-d > 08 F3 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002642DA95AF0, 16 bytes long.
Data: <àò§-d > E0 F2 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002642DA95E10, 16 bytes long.
Data: <¸ò§-d > B8 F2 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002642DA90C40, 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 0x000002642DA959B0, 16 bytes long.
Data: < ò§-d > 90 F2 A7 2D 64 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002642DA7F290, 320 bytes long.
Data: <°Y©-d @ ©-d > B0 59 A9 2D 64 02 00 00 40 0C A9 2D 64 02 00 00
{274} normal block at 0x000002642DA95780, 16 bytes long.
Data: <àh©-d > E0 68 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002642DA95F00, 16 bytes long.
Data: <¸h©-d > B8 68 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002642DA91B40, 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 0x000002642DA958C0, 16 bytes long.
Data: < h©-d > 90 68 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002642DA91480, 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 0x000002642DA95A00, 16 bytes long.
Data: <Øg©-d > D8 67 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002642DA95A50, 16 bytes long.
Data: <°g©-d > B0 67 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002642DA95CD0, 16 bytes long.
Data: < g©-d > 88 67 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002642DA95870, 16 bytes long.
Data: <`g©-d > 60 67 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002642DA961D0, 16 bytes long.
Data: <8g©-d > 38 67 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002642DA95960, 16 bytes long.
Data: < g©-d > 10 67 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002642DA95B90, 16 bytes long.
Data: < ©-d > 10 0A A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002642DA90A10, 40 bytes long.
Data: < [©-d À¦ /d > 90 5B A9 2D 64 02 00 00 C0 A6 88 2F 64 02 00 00
{260} normal block at 0x000002642DA95E60, 16 bytes long.
Data: <ðf©-d > F0 66 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002642DA95820, 16 bytes long.
Data: <Èf©-d > C8 66 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002642DA91A20, 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 0x000002642DA95F50, 16 bytes long.
Data: < f©-d > A0 66 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002642DA966A0, 992 bytes long.
Data: <P_©-d ©-d > 50 5F A9 2D 64 02 00 00 20 1A A9 2D 64 02 00 00
{92} normal block at 0x000002642DA91900, 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 0x000002642DA8D640, 16 bytes long.
Data: <0 ©-d > 30 09 A9 2D 64 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002642DA90930, 40 bytes long.
Data: <@Ö¨-d ©-d > 40 D6 A8 2D 64 02 00 00 00 19 A9 2D 64 02 00 00
{69} normal block at 0x000002642DA8D460, 16 bytes long.
Data: < ê ÷ > 80 EA 19 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002642DA8D730, 16 bytes long.
Data: <@é ÷ > 40 E9 19 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002642DA8D7D0, 16 bytes long.
Data: <øW ÷ > F8 57 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002642DA8E0E0, 16 bytes long.
Data: <ØW ÷ > D8 57 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002642DA8DA00, 16 bytes long.
Data: <P ÷ > 50 04 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002642DA8D320, 16 bytes long.
Data: <0 ÷ > 30 04 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002642DA8D8C0, 16 bytes long.
Data: <à ÷ > E0 02 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002642DA8E090, 16 bytes long.
Data: < ÷ > 10 04 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002642DA8D2D0, 16 bytes long.
Data: <p ÷ > 70 04 16 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002642DA8D230, 16 bytes long.
Data: < À ÷ > 18 C0 14 1E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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