| Name | HIF2A_A14_A20_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND9131_0 |
| Workunit | 31546811 |
| Created | 13 Dec 2025, 6:17:33 UTC |
| Sent | 13 Dec 2025, 6:17:37 UTC |
| Report deadline | 18 Dec 2025, 6:17:37 UTC |
| Received | 13 Dec 2025, 16:41:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637915 |
| Run time | 3 hours 6 min 9 sec |
| CPU time | 3 hours 5 min 40 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,107.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 491.72 MB |
| Peak swap size | 12.63 GB |
| Peak disk usage | 2.97 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:19:20 (30228): wrapper (7.9.26016): starting
01:19:20 (30228): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20_equil.pdb
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20_mdlambda.pdb
QB_A14_A20_min.pdb
QB_A14_A20_npt.pdb
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
QB_A14_A20_therm.pdb
run.bat
run.sh
01:19:22 (30228): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:19:22 (30228): 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\4\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\4\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.
09:42:24 (12324): wrapper (7.9.26016): starting
09:42:24 (12324): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000113E2D65660, 8 bytes long.
Data: < y > 00 00 79 E4 13 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000113E2D665E0, 1080 bytes long.
Data: < " > D4 22 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:44:00 (16256): wrapper (7.9.26016): starting
09:44:00 (16256): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000024811CD58E0, 8 bytes long.
Data: < H > 00 00 0B 12 48 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000024811CD6790, 1080 bytes long.
Data: < C > D0 43 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
10:21:43 (12008): wrapper (7.9.26016): starting
10:21:43 (12008): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000026F14445E90, 8 bytes long.
Data: < o > 00 00 95 14 6F 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000026F14446500, 1080 bytes long.
Data: < b > B0 62 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
11:27:44 (6316): wrapper (7.9.26016): starting
11:27:44 (6316): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\4\tmp already exists.
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
11:41:24 (6316): C:/Windows/system32/cmd.exe exited; CPU time 794.828125
11:41:24 (6316): 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: 16420788 bytes.
Dumping objects ->
{1542} normal block at 0x0000024C877C4510, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x0000024C877C49E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x0000024C877C4970, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x0000024C877C4AC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x0000024C877C4660, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x0000024C877B0590, 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) : {1454} normal block at 0x0000024C877C53A0, 8 bytes long.
Data: < - L > 00 00 2D 89 4C 02 00 00
{304} normal block at 0x0000024C877C5AD0, 8 bytes long.
Data: < e| L > 00 65 7C 87 4C 02 00 00
{295} normal block at 0x0000024C877B1F00, 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 0x0000024C877C6070, 16 bytes long.
Data: < d| L > 08 64 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024C877C5940, 16 bytes long.
Data: < c| L > E0 63 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024C877C0C50, 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 0x0000024C877C5300, 16 bytes long.
Data: < c| L > B8 63 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024C877C58A0, 16 bytes long.
Data: < c| L > 90 63 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024C877C54E0, 16 bytes long.
Data: <hc| L > 68 63 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024C877C5D50, 16 bytes long.
Data: <@c| L > 40 63 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024C877C4900, 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 0x0000024C877C5850, 16 bytes long.
Data: < z L > B8 B2 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024C877C0A10, 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 0x0000024C877C5620, 16 bytes long.
Data: < z L > 90 B2 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024C877C5490, 16 bytes long.
Data: <h z L > 68 B2 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024C877C5E40, 16 bytes long.
Data: <@ z L > 40 B2 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024C877C5B20, 16 bytes long.
Data: < z L > 18 B2 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024C877C5350, 16 bytes long.
Data: < z L > F0 B1 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024C877C5800, 16 bytes long.
Data: < z L > C8 B1 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024C877C1070, 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 0x0000024C877C52B0, 16 bytes long.
Data: < z L > A0 B1 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024C877AB1A0, 320 bytes long.
Data: < R| L p | L > B0 52 7C 87 4C 02 00 00 70 10 7C 87 4C 02 00 00
{274} normal block at 0x0000024C877C5FD0, 16 bytes long.
Data: < c| L > 20 63 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024C877C55D0, 16 bytes long.
Data: < b| L > F8 62 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024C877C1130, 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 0x0000024C877C5210, 16 bytes long.
Data: < b| L > D0 62 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024C877C13D0, 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 0x0000024C877C5170, 16 bytes long.
Data: < b| L > 18 62 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024C877C5F80, 16 bytes long.
Data: < a| L > F0 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024C877C5D00, 16 bytes long.
Data: < a| L > C8 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024C877C5E90, 16 bytes long.
Data: < a| L > A0 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024C877C5F30, 16 bytes long.
Data: <xa| L > 78 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024C877C5260, 16 bytes long.
Data: <Pa| L > 50 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024C877C5A80, 16 bytes long.
Data: < H| L > 90 48 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024C877C4890, 40 bytes long.
Data: < Z| L { L > 80 5A 7C 87 4C 02 00 00 90 05 7B 87 4C 02 00 00
{260} normal block at 0x0000024C877C5710, 16 bytes long.
Data: <0a| L > 30 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024C877C5B70, 16 bytes long.
Data: < a| L > 08 61 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024C877C0FB0, 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 0x0000024C877C51C0, 16 bytes long.
Data: < `| L > E0 60 7C 87 4C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024C877C60E0, 992 bytes long.
Data: < Q| L | L > C0 51 7C 87 4C 02 00 00 B0 0F 7C 87 4C 02 00 00
{92} normal block at 0x0000024C877C0890, 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 0x0000024C877BD5C0, 16 bytes long.
Data: < z L > 00 D6 7A 87 4C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000024C877AD600, 40 bytes long.
Data: < { L | L > C0 D5 7B 87 4C 02 00 00 90 08 7C 87 4C 02 00 00
{69} normal block at 0x0000024C877BD4D0, 16 bytes long.
Data: < > 80 EA 93 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024C877BD7F0, 16 bytes long.
Data: <@ > 40 E9 93 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024C877BCFD0, 16 bytes long.
Data: < W > F8 57 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024C877BDC00, 16 bytes long.
Data: < W > D8 57 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024C877BD2A0, 16 bytes long.
Data: <P > 50 04 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024C877BCF30, 16 bytes long.
Data: <0 > 30 04 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024C877BDA20, 16 bytes long.
Data: < > E0 02 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024C877BD6B0, 16 bytes long.
Data: < > 10 04 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024C877BD430, 16 bytes long.
Data: <p > 70 04 90 D6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024C877BCF80, 16 bytes long.
Data: < > 18 C0 8E D6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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