Task 38582588
| Name | HIF2A_A26_A07_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND5936_0 |
| Workunit | 31546881 |
| Created | 13 Dec 2025, 7:44:26 UTC |
| Sent | 13 Dec 2025, 7:44:31 UTC |
| Report deadline | 18 Dec 2025, 7:44:31 UTC |
| Received | 13 Dec 2025, 10:22:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642860 |
| Run time | 2 hours 36 min 50 sec |
| CPU time | 2 hours 36 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 83,075.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 494.48 MB |
| Peak swap size | 12.80 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:45:42 (44648): wrapper (7.9.26016): starting
08:45:42 (44648): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A07_0.pdb
QB_A26_A07_0.xml
QB_A26_A07_equil.pdb
QB_A26_A07.inpcrd
QB_A26_A07_input.yaml
QB_A26_A07_mdlambda.pdb
QB_A26_A07_min.pdb
QB_A26_A07_npt.pdb
QB_A26_A07.pdb
QB_A26_A07.prmtop
QB_A26_A07_sys.xml
QB_A26_A07_therm.pdb
run.bat
run.sh
08:45:43 (44648): Library/usr/bin/tar.exe exited; CPU time 0.031250
08:45:43 (44648): 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\2\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\2\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
11:19:55 (44648): C:/Windows/system32/cmd.exe exited; CPU time 9410.156250
11:19:55 (44648): 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: 200782113 bytes.
Dumping objects ->
{3835363} normal block at 0x0000014CAC4C9D30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835352} normal block at 0x0000014CAC4C9CC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835341} normal block at 0x0000014CAC4CA2E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835330} normal block at 0x0000014CAC4C9DA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835319} normal block at 0x0000014CAC4C9940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835288} normal block at 0x0000014CAE287670, 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) : {3835275} normal block at 0x0000014CAC49E680, 8 bytes long.
Data: < ¯¬L > 00 00 AF AC 4C 01 00 00
{3833963} normal block at 0x0000014CAC49ECC0, 8 bytes long.
Data: < ÝW¬L > A0 DD 57 AC 4C 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000014CAC491E90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000014CAC492DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000014CAC4A6F10, 16 bytes long.
Data: <ØtJ¬L > D8 74 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000014CAC4A6790, 16 bytes long.
Data: <°tJ¬L > B0 74 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000014CAC4A2340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000014CAC4A6970, 16 bytes long.
Data: < tJ¬L > 88 74 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000014CAC4A6920, 16 bytes long.
Data: <`tJ¬L > 60 74 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000014CAC4A6420, 16 bytes long.
Data: <8tJ¬L > 38 74 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014CAC4A6290, 16 bytes long.
Data: < tJ¬L > 10 74 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000014CAC4A4BD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000014CAC4A6C40, 16 bytes long.
Data: <Ø´H¬L > D8 B4 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000014CAC4A2520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000014CAC4A6A10, 16 bytes long.
Data: <°´H¬L > B0 B4 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000014CAC4A6C90, 16 bytes long.
Data: < ´H¬L > 88 B4 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014CAC4A68D0, 16 bytes long.
Data: <`´H¬L > 60 B4 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014CAC4A6BF0, 16 bytes long.
Data: <8´H¬L > 38 B4 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014CAC4A6510, 16 bytes long.
Data: < ´H¬L > 10 B4 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014CAC4A6830, 16 bytes long.
Data: <è³H¬L > E8 B3 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000014CAC4A1F20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000014CAC4A6B00, 16 bytes long.
Data: <À³H¬L > C0 B3 48 AC 4C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000014CAC48B3C0, 320 bytes long.
Data: < kJ¬L J¬L > 00 6B 4A AC 4C 01 00 00 20 1F 4A AC 4C 01 00 00
{277} normal block at 0x0000014CAC4A69C0, 16 bytes long.
Data: <ðsJ¬L > F0 73 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014CAC4A63D0, 16 bytes long.
Data: <ÈsJ¬L > C8 73 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014CAC4A2160, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000014CAC4A6600, 16 bytes long.
Data: < sJ¬L > A0 73 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014CAC4A2880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000014CAC4A6EC0, 16 bytes long.
Data: <èrJ¬L > E8 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014CAC4A6BA0, 16 bytes long.
Data: <ÀrJ¬L > C0 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014CAC4A62E0, 16 bytes long.
Data: < rJ¬L > 98 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014CAC4A6740, 16 bytes long.
Data: <prJ¬L > 70 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000014CAC4A6E70, 16 bytes long.
Data: <HrJ¬L > 48 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014CAC4A65B0, 16 bytes long.
Data: < rJ¬L > 20 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000014CAC4A7050, 16 bytes long.
Data: <0PJ¬L > 30 50 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014CAC4A5030, 40 bytes long.
Data: <PpJ¬L pv(®L > 50 70 4A AC 4C 01 00 00 70 76 28 AE 4C 01 00 00
{263} normal block at 0x0000014CAC4A6240, 16 bytes long.
Data: < rJ¬L > 00 72 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014CAC4A6880, 16 bytes long.
Data: <ØqJ¬L > D8 71 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014CAC4A1C20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000014CAC4A6650, 16 bytes long.
Data: <°qJ¬L > B0 71 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014CAC4A71B0, 992 bytes long.
Data: <PfJ¬L J¬L > 50 66 4A AC 4C 01 00 00 20 1C 4A AC 4C 01 00 00
{95} normal block at 0x0000014CAC4A1B60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000014CAC49EC20, 16 bytes long.
Data: <àNJ¬L > E0 4E 4A AC 4C 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000014CAC4A4EE0, 40 bytes long.
Data: < ìI¬L ` J¬L > 20 EC 49 AC 4C 01 00 00 60 1B 4A AC 4C 01 00 00
{72} normal block at 0x0000014CAC49E270, 16 bytes long.
Data: < êJ ö > 80 EA 4A B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000014CAC49EC70, 16 bytes long.
Data: <@éJ ö > 40 E9 4A B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000014CAC49ED60, 16 bytes long.
Data: <øWG ö > F8 57 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000014CAC49ED10, 16 bytes long.
Data: <ØWG ö > D8 57 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000014CAC49DF00, 16 bytes long.
Data: <P G ö > 50 04 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000014CAC49E540, 16 bytes long.
Data: <0 G ö > 30 04 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000014CAC49E090, 16 bytes long.
Data: <à G ö > E0 02 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000014CAC49E310, 16 bytes long.
Data: < G ö > 10 04 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000014CAC49E8B0, 16 bytes long.
Data: <p G ö > 70 04 47 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000014CAC49EBD0, 16 bytes long.
Data: < ÀE ö > 18 C0 45 B2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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