Task 38582701
| Name | HIF2A_A03_A42_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND6462_0 |
| Workunit | 31546971 |
| Created | 13 Dec 2025, 9:56:11 UTC |
| Sent | 13 Dec 2025, 9:56:16 UTC |
| Report deadline | 18 Dec 2025, 9:56:16 UTC |
| Received | 13 Dec 2025, 14:30:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625157 |
| Run time | 4 hours 30 min 20 sec |
| CPU time | 4 hours 30 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,338.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 489.36 MB |
| Peak swap size | 12.50 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:57:58 (13404): wrapper (7.9.26016): starting
10:57:58 (13404): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A42_0.pdb
QB_A03_A42_0.xml
QB_A03_A42_equil.pdb
QB_A03_A42.inpcrd
QB_A03_A42_input.yaml
QB_A03_A42_mdlambda.pdb
QB_A03_A42_min.pdb
QB_A03_A42_npt.pdb
QB_A03_A42.pdb
QB_A03_A42.prmtop
QB_A03_A42_sys.xml
QB_A03_A42_therm.pdb
run.bat
run.sh
10:57:59 (13404): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:57:59 (13404): 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 'L:\BOINCProjects\slots\15\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 'L:\BOINCProjects\slots\15\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
15:29:13 (13404): C:/Windows/system32/cmd.exe exited; CPU time 16220.453125
15:29:13 (13404): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 347603257 bytes.
Dumping objects ->
{3835259} normal block at 0x000001B7697D5020, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835248} normal block at 0x000001B76B581380, 32 bytes long.
Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835237} normal block at 0x000001B76B581EC0, 32 bytes long.
Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A
{3835226} normal block at 0x000001B76B581140, 32 bytes long.
Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835215} normal block at 0x000001B7697D5410, 48 bytes long.
Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50
{3835184} normal block at 0x000001B7697D5560, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
..\api\boinc_api.cpp(309) : {3835171} normal block at 0x000001B7697CDF80, 8 bytes long.
Data: < wi· > 00 00 77 69 B7 01 00 00
{3833955} normal block at 0x000001B7697CD490, 8 bytes long.
Data: < ëDk· > 10 EB 44 6B B7 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B7697C0AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B7697C20D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001B7697D6540, 16 bytes long.
Data: <Èi}i· > C8 69 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B7697D6090, 16 bytes long.
Data: < i}i· > A0 69 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B7697D0E60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001B7697D59B0, 16 bytes long.
Data: <xi}i· > 78 69 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B7697D6040, 16 bytes long.
Data: <Pi}i· > 50 69 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B7697D5D20, 16 bytes long.
Data: <(i}i· > 28 69 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B7697D5FF0, 16 bytes long.
Data: < i}i· > 00 69 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B7697D4ED0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001B7697D5FA0, 16 bytes long.
Data: <(ò{i· > 28 F2 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B7697D1460, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001B7697D64F0, 16 bytes long.
Data: < ò{i· > 00 F2 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B7697D5910, 16 bytes long.
Data: <Øñ{i· > D8 F1 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B7697D64A0, 16 bytes long.
Data: <°ñ{i· > B0 F1 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B7697D6270, 16 bytes long.
Data: < ñ{i· > 88 F1 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B7697D5A00, 16 bytes long.
Data: <`ñ{i· > 60 F1 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B7697D6450, 16 bytes long.
Data: <8ñ{i· > 38 F1 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B7697D1C40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001B7697D5F50, 16 bytes long.
Data: < ñ{i· > 10 F1 7B 69 B7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B7697BF110, 320 bytes long.
Data: <P_}i· @ }i· > 50 5F 7D 69 B7 01 00 00 40 1C 7D 69 B7 01 00 00
{273} normal block at 0x000001B7697D62C0, 16 bytes long.
Data: <àh}i· > E0 68 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B7697D6400, 16 bytes long.
Data: <¸h}i· > B8 68 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B7697D1BE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001B7697D5F00, 16 bytes long.
Data: < h}i· > 90 68 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B7697D19A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001B7697D6310, 16 bytes long.
Data: <Øg}i· > D8 67 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B7697D5E10, 16 bytes long.
Data: <°g}i· > B0 67 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B7697D5EB0, 16 bytes long.
Data: < g}i· > 88 67 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B7697D5E60, 16 bytes long.
Data: <`g}i· > 60 67 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B7697D5C80, 16 bytes long.
Data: <8g}i· > 38 67 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B7697D5C30, 16 bytes long.
Data: < g}i· > 10 67 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B7697D5BE0, 16 bytes long.
Data: < S}i· > A0 53 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B7697D53A0, 40 bytes long.
Data: <à[}i· `U}i· > E0 5B 7D 69 B7 01 00 00 60 55 7D 69 B7 01 00 00
{259} normal block at 0x000001B7697D5B90, 16 bytes long.
Data: <ðf}i· > F0 66 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B7697D6360, 16 bytes long.
Data: <Èf}i· > C8 66 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B7697D11C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001B7697D63B0, 16 bytes long.
Data: < f}i· > A0 66 7D 69 B7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B7697D66A0, 992 bytes long.
Data: <°c}i· À }i· > B0 63 7D 69 B7 01 00 00 C0 11 7D 69 B7 01 00 00
{91} normal block at 0x000001B7697D1D00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001B7697CD3A0, 16 bytes long.
Data: < |i· > 00 03 7C 69 B7 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001B7697C0300, 40 bytes long.
Data: < Ó|i· }i· > A0 D3 7C 69 B7 01 00 00 00 1D 7D 69 B7 01 00 00
{68} normal block at 0x000001B7697CD440, 16 bytes long.
Data: < êžMö > 80 EA 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B7697CDE90, 16 bytes long.
Data: <@éžMö > 40 E9 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B7697CDC10, 16 bytes long.
Data: <øW›Mö > F8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B7697CD760, 16 bytes long.
Data: <ØW›Mö > D8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B7697CD990, 16 bytes long.
Data: <P ›Mö > 50 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B7697CDA30, 16 bytes long.
Data: <0 ›Mö > 30 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B7697CD940, 16 bytes long.
Data: <à ›Mö > E0 02 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B7697CD3F0, 16 bytes long.
Data: < ›Mö > 10 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B7697CD8A0, 16 bytes long.
Data: <p ›Mö > 70 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B7697CDB70, 16 bytes long.
Data: < À Mö > 18 C0 99 4D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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