Task 38582396
| Name | HIF2A_A21_A06_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND9722_0 |
| Workunit | 31546715 |
| Created | 13 Dec 2025, 3:41:47 UTC |
| Sent | 13 Dec 2025, 3:41:53 UTC |
| Report deadline | 18 Dec 2025, 3:41:53 UTC |
| Received | 13 Dec 2025, 9:26:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 580989 |
| Run time | 5 hours 44 min 18 sec |
| CPU time | 5 hours 46 min 27 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 24,125.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 504.41 MB |
| Peak swap size | 12.56 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:44:33 (18484): wrapper (7.9.26016): starting
04:44:33 (18484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A06_0.pdb
QB_A21_A06_0.xml
QB_A21_A06_equil.pdb
QB_A21_A06.inpcrd
QB_A21_A06_input.yaml
QB_A21_A06_mdlambda.pdb
QB_A21_A06_min.pdb
QB_A21_A06_npt.pdb
QB_A21_A06.pdb
QB_A21_A06.prmtop
QB_A21_A06_sys.xml
QB_A21_A06_therm.pdb
run.bat
run.sh
04:44:36 (18484): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:44:36 (18484): 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\27\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\27\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
10:25:19 (18484): C:/Windows/system32/cmd.exe exited; CPU time 20787.140625
10:25:19 (18484): 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: 336130889 bytes.
Dumping objects ->
{3835240} normal block at 0x00000205B06314F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x00000205B0630D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x00000205B0631330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x00000205B06312C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x00000205B0631640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x00000205B06DC770, 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) : {3835152} normal block at 0x00000205AEA072E0, 8 bytes long.
Data: < G° > 00 00 47 B0 05 02 00 00
{3833957} normal block at 0x00000205AEA06930, 8 bytes long.
Data: <@ë®® > 40 EB AE AE 05 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000205AEA115A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000205AE9FBA10, 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 0x00000205AEA12AE0, 16 bytes long.
Data: <x>¡® > 78 3E A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000205AEA132B0, 16 bytes long.
Data: <P>¡® > 50 3E A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000205AEA0BAD0, 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 0x00000205AEA12950, 16 bytes long.
Data: <(>¡® > 28 3E A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000205AEA13350, 16 bytes long.
Data: < >¡® > 00 3E A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000205AEA13490, 16 bytes long.
Data: <Ø=¡® > D8 3D A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000205AEA133F0, 16 bytes long.
Data: <°=¡® > B0 3D A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000205AEA0D590, 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 0x00000205AEA129F0, 16 bytes long.
Data: <x$¡® > 78 24 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000205AEA0C4F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000205AEA13260, 16 bytes long.
Data: <P$¡® > 50 24 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000205AEA13120, 16 bytes long.
Data: <($¡® > 28 24 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000205AEA12E50, 16 bytes long.
Data: < $¡® > 00 24 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000205AEA13030, 16 bytes long.
Data: <Ø#¡® > D8 23 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000205AEA12860, 16 bytes long.
Data: <°#¡® > B0 23 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000205AEA12A40, 16 bytes long.
Data: < #¡® > 88 23 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000205AEA0B8F0, 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 0x00000205AEA12810, 16 bytes long.
Data: <`#¡® > 60 23 A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000205AEA12360, 320 bytes long.
Data: < (¡® 𸠮 > 10 28 A1 AE 05 02 00 00 F0 B8 A0 AE 05 02 00 00
{274} normal block at 0x00000205AEA134E0, 16 bytes long.
Data: < =¡® > 90 3D A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000205AEA133A0, 16 bytes long.
Data: <h=¡® > 68 3D A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000205AEA0C430, 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 0x00000205AEA12B30, 16 bytes long.
Data: <@=¡® > 40 3D A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000205AEA0C310, 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 0x00000205AEA12F40, 16 bytes long.
Data: < <¡® > 88 3C A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000205AEA12CC0, 16 bytes long.
Data: <`<¡® > 60 3C A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000205AEA130D0, 16 bytes long.
Data: <8<¡® > 38 3C A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000205AEA12720, 16 bytes long.
Data: < <¡® > 10 3C A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000205AEA13210, 16 bytes long.
Data: <è;¡® > E8 3B A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000205AEA126D0, 16 bytes long.
Data: <À;¡® > C0 3B A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000205AEA12C20, 16 bytes long.
Data: < Ö ® > 00 D6 A0 AE 05 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000205AEA0D600, 40 bytes long.
Data: < ,¡® pÇm° > 20 2C A1 AE 05 02 00 00 70 C7 6D B0 05 02 00 00
{260} normal block at 0x00000205AEA12D60, 16 bytes long.
Data: < ;¡® > A0 3B A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000205AEA13080, 16 bytes long.
Data: <x;¡® > 78 3B A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000205AEA0C490, 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 0x00000205AEA13530, 16 bytes long.
Data: <P;¡® > 50 3B A1 AE 05 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000205AEA13B50, 992 bytes long.
Data: <05¡® Ä ® > 30 35 A1 AE 05 02 00 00 90 C4 A0 AE 05 02 00 00
{92} normal block at 0x00000205AEA0BCB0, 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 0x00000205AEA06980, 16 bytes long.
Data: <ÐÓ ® > D0 D3 A0 AE 05 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000205AEA0D3D0, 40 bytes long.
Data: < i ® °¼ ® > 80 69 A0 AE 05 02 00 00 B0 BC A0 AE 05 02 00 00
{69} normal block at 0x00000205AEA06890, 16 bytes long.
Data: < ê\øö > 80 EA 5C F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000205AEA06840, 16 bytes long.
Data: <@é\øö > 40 E9 5C F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000205AEA076A0, 16 bytes long.
Data: <øWYøö > F8 57 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000205AEA06B60, 16 bytes long.
Data: <ØWYøö > D8 57 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000205AEA07650, 16 bytes long.
Data: <P Yøö > 50 04 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000205AEA07240, 16 bytes long.
Data: <0 Yøö > 30 04 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000205AEA07010, 16 bytes long.
Data: <à Yøö > E0 02 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000205AEA07600, 16 bytes long.
Data: < Yøö > 10 04 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000205AEA07060, 16 bytes long.
Data: <p Yøö > 70 04 59 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000205AEA06FC0, 16 bytes long.
Data: < ÀWøö > 18 C0 57 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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