Task 38583135
| Name | HIF2A_A34_A38_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND7174_0 |
| Workunit | 31547321 |
| Created | 13 Dec 2025, 20:09:54 UTC |
| Sent | 13 Dec 2025, 20:09:59 UTC |
| Report deadline | 18 Dec 2025, 20:09:59 UTC |
| Received | 17 Dec 2025, 21:16:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 6 hours 16 min 53 sec |
| CPU time | 5 hours 54 min 52 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,572.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 654.02 MB |
| Peak swap size | 1.91 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:32:08 (4184): wrapper (7.9.26016): starting
18:32:08 (4184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A38_0.pdb
QB_A34_A38_0.xml
QB_A34_A38_equil.pdb
QB_A34_A38.inpcrd
QB_A34_A38_input.yaml
QB_A34_A38_mdlambda.pdb
QB_A34_A38_min.pdb
QB_A34_A38_npt.pdb
QB_A34_A38.pdb
QB_A34_A38.prmtop
QB_A34_A38_sys.xml
QB_A34_A38_therm.pdb
run.bat
run.sh
18:32:10 (4184): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:32:10 (4184): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
00:47:10 (4184): C:/Windows/system32/cmd.exe exited; CPU time 21292.421875
00:47:10 (4184): 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: 257205237 bytes.
Dumping objects ->
{3835195} normal block at 0x0000028086330FB0, 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 0x0000028086330C30, 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 0x00000280863315D0, 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 0x00000280863314F0, 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 0x0000028086330BC0, 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 0x000002808640B5A0, 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) : {3835106} normal block at 0x00000280849B5DF0, 8 bytes long.
Data: < •„ > 00 00 95 84 80 02 00 00
{3833949} normal block at 0x00000280849B6250, 8 bytes long.
Data: < ê©„ > 80 EA A9 84 80 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000280849C0C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000280849C1BC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000280849C28F0, 16 bytes long.
Data: <X1œ„ > 58 31 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000280849C2350, 16 bytes long.
Data: <01œ„ > 30 31 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000280849BC0C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000280849C2300, 16 bytes long.
Data: < 1œ„ > 08 31 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000280849C28A0, 16 bytes long.
Data: <à0œ„ > E0 30 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000280849C2260, 16 bytes long.
Data: <¸0œ„ > B8 30 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000280849C2210, 16 bytes long.
Data: < 0œ„ > 90 30 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000280849BA650, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000280849C2440, 16 bytes long.
Data: <X œ„ > 58 1B 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000280849BBD00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000280849C1F90, 16 bytes long.
Data: <0 œ„ > 30 1B 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000280849C2490, 16 bytes long.
Data: < œ„ > 08 1B 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000280849C2800, 16 bytes long.
Data: <à œ„ > E0 1A 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000280849C2120, 16 bytes long.
Data: <¸ œ„ > B8 1A 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000280849C23A0, 16 bytes long.
Data: < œ„ > 90 1A 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000280849C27B0, 16 bytes long.
Data: <h œ„ > 68 1A 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000280849BB880, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000280849C1CC0, 16 bytes long.
Data: <@ œ„ > 40 1A 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000280849C1A40, 320 bytes long.
Data: <À œ„ ¸›„ > C0 1C 9C 84 80 02 00 00 80 B8 9B 84 80 02 00 00
{270} normal block at 0x00000280849C2760, 16 bytes long.
Data: <p0œ„ > 70 30 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000280849C1E50, 16 bytes long.
Data: <H0œ„ > 48 30 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000280849BC480, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000280849C1D60, 16 bytes long.
Data: < 0œ„ > 20 30 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000280849BC3C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000280849C2620, 16 bytes long.
Data: <h/œ„ > 68 2F 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000280849C21C0, 16 bytes long.
Data: <@/œ„ > 40 2F 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000280849C1E00, 16 bytes long.
Data: < /œ„ > 18 2F 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000280849C22B0, 16 bytes long.
Data: <ð.œ„ > F0 2E 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000280849C2580, 16 bytes long.
Data: <È.œ„ > C8 2E 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000280849C2A80, 16 bytes long.
Data: < .œ„ > A0 2E 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000280849C23F0, 16 bytes long.
Data: <ज़„ > E0 A5 9B 84 80 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000280849BA5E0, 40 bytes long.
Data: <ð#œ„  µ@† > F0 23 9C 84 80 02 00 00 A0 B5 40 86 80 02 00 00
{256} normal block at 0x00000280849C2850, 16 bytes long.
Data: < .œ„ > 80 2E 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000280849C2710, 16 bytes long.
Data: <X.œ„ > 58 2E 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000280849BC000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000280849C2170, 16 bytes long.
Data: <0.œ„ > 30 2E 9C 84 80 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000280849C2E30, 992 bytes long.
Data: <p!œ„ À›„ > 70 21 9C 84 80 02 00 00 00 C0 9B 84 80 02 00 00
{88} normal block at 0x00000280849BB820, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000280849B5670, 16 bytes long.
Data: <ð¡›„ > F0 A1 9B 84 80 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000280849BA1F0, 40 bytes long.
Data: <pV›„ ¸›„ > 70 56 9B 84 80 02 00 00 20 B8 9B 84 80 02 00 00
{65} normal block at 0x00000280849B5850, 16 bytes long.
Data: < êunö > 80 EA 75 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000280849B62F0, 16 bytes long.
Data: <@éunö > 40 E9 75 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000280849B5EE0, 16 bytes long.
Data: <øWrnö > F8 57 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000280849B5B20, 16 bytes long.
Data: <ØWrnö > D8 57 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000280849B5440, 16 bytes long.
Data: <P rnö > 50 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000280849B6070, 16 bytes long.
Data: <0 rnö > 30 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000280849B54E0, 16 bytes long.
Data: <à rnö > E0 02 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000280849B5800, 16 bytes long.
Data: < rnö > 10 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000280849B5D00, 16 bytes long.
Data: <p rnö > 70 04 72 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000280849B5A80, 16 bytes long.
Data: < Àpnö > 18 C0 70 6E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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