Task 38581712
| Name | HIF2A_A18_A07_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND0826_0 |
| Workunit | 31546156 |
| Created | 12 Dec 2025, 13:37:40 UTC |
| Sent | 12 Dec 2025, 13:37:47 UTC |
| Report deadline | 17 Dec 2025, 13:37:47 UTC |
| Received | 12 Dec 2025, 17:18:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627682 |
| Run time | 2 hours 7 min 25 sec |
| CPU time | 1 hours 32 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 57,422.49 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 461.70 MB |
| Peak swap size | 5.15 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:39:04 (13884): wrapper (7.9.26016): starting
14:39:04 (13884): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A07_0.pdb
QB_A18_A07_0.xml
QB_A18_A07_equil.pdb
QB_A18_A07.inpcrd
QB_A18_A07_input.yaml
QB_A18_A07_mdlambda.pdb
QB_A18_A07_min.pdb
QB_A18_A07_npt.pdb
QB_A18_A07.pdb
QB_A18_A07.prmtop
QB_A18_A07_sys.xml
QB_A18_A07_therm.pdb
run.bat
run.sh
14:39:05 (13884): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:39:05 (13884): 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.
tar: r0/checkpoint.xml: time stamp 2025-12-12 14:39:55 is 40.0342394 s in the future
tar: r1/checkpoint.xml: time stamp 2025-12-12 14:39:55 is 39.9028549 s in the future
tar: r10/checkpoint.xml: time stamp 2025-12-12 14:39:59 is 43.7769512 s in the future
tar: r11/checkpoint.xml: time stamp 2025-12-12 14:39:59 is 43.65285 s in the future
tar: r12/checkpoint.xml: time stamp 2025-12-12 14:39:59 is 43.5307143 s in the future
tar: r13/checkpoint.xml: time stamp 2025-12-12 14:40:00 is 44.4191698 s in the future
tar: r14/checkpoint.xml: time stamp 2025-12-12 14:40:00 is 44.2970581 s in the future
tar: r15/checkpoint.xml: time stamp 2025-12-12 14:40:01 is 45.1734461 s in the future
tar: r16/checkpoint.xml: time stamp 2025-12-12 14:40:01 is 45.034621 s in the future
tar: r17/checkpoint.xml: time stamp 2025-12-12 14:40:01 is 44.9078297 s in the future
tar: r18/checkpoint.xml: time stamp 2025-12-12 14:40:02 is 45.7992983 s in the future
tar: r19/checkpoint.xml: time stamp 2025-12-12 14:40:02 is 45.6668376 s in the future
tar: r2/checkpoint.xml: time stamp 2025-12-12 14:39:56 is 39.5443773 s in the future
tar: r20/checkpoint.xml: time stamp 2025-12-12 14:40:02 is 45.4197193 s in the future
tar: r21/checkpoint.xml: time stamp 2025-12-12 14:40:03 is 46.2977899 s in the future
tar: r3/checkpoint.xml: time stamp 2025-12-12 14:39:56 is 39.1889783 s in the future
tar: r4/checkpoint.xml: time stamp 2025-12-12 14:39:56 is 39.0635189 s in the future
tar: r5/checkpoint.xml: time stamp 2025-12-12 14:39:57 is 39.9369703 s in the future
tar: r6/checkpoint.xml: time stamp 2025-12-12 14:39:57 is 39.8126994 s in the future
tar: r7/checkpoint.xml: time stamp 2025-12-12 14:39:58 is 40.6866974 s in the future
tar: r8/checkpoint.xml: time stamp 2025-12-12 14:39:58 is 40.575261 s in the future
tar: r9/checkpoint.xml: time stamp 2025-12-12 14:39:58 is 40.4561138 s in the future
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
16:41:20 (22276): wrapper (7.9.26016): starting
16:41:20 (22276): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A07_0.pdb
QB_A18_A07_0.xml
QB_A18_A07_equil.pdb
QB_A18_A07.inpcrd
QB_A18_A07_input.yaml
QB_A18_A07_mdlambda.pdb
QB_A18_A07_min.pdb
QB_A18_A07_npt.pdb
QB_A18_A07.pdb
QB_A18_A07.prmtop
QB_A18_A07_sys.xml
QB_A18_A07_therm.pdb
run.bat
run.sh
16:41:21 (22276): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:21 (22276): 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\0\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
18:18:37 (22276): C:/Windows/system32/cmd.exe exited; CPU time 5540.500000
18:18:37 (22276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 96798305 bytes.
Dumping objects ->
{1657} normal block at 0x00000241C8EA4F40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1646} normal block at 0x00000241C8EA4C30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1635} normal block at 0x00000241C8EA4B50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1624} normal block at 0x00000241C8EA4CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1613} normal block at 0x00000241C8EA4D10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1582} normal block at 0x00000241C8E8FBF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x00000241C8E8B690, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1568} normal block at 0x00000241C8EA5E20, 8 bytes long.
Data: < : A > 00 00 3A C9 41 02 00 00
{937} normal block at 0x00000241C8EA4480, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{307} normal block at 0x00000241C8EA5B00, 8 bytes long.
Data: < h A > A0 68 EA C8 41 02 00 00
{298} normal block at 0x00000241C8E91BE0, 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 0x00000241C8EA5BA0, 16 bytes long.
Data: < g A > A8 67 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000241C8EA5920, 16 bytes long.
Data: < g A > 80 67 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000241C8EA0C30, 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 0x00000241C8EA5DD0, 16 bytes long.
Data: <Xg A > 58 67 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000241C8EA56F0, 16 bytes long.
Data: <0g A > 30 67 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000241C8EA5880, 16 bytes long.
Data: < g A > 08 67 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000241C8EA58D0, 16 bytes long.
Data: < f A > E0 66 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000241C8EA4A70, 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 0x00000241C8EA6280, 16 bytes long.
Data: < A > E8 F7 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000241C8EA0BD0, 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 0x00000241C8EA5740, 16 bytes long.
Data: < A > C0 F7 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000241C8EA5CE0, 16 bytes long.
Data: < A > 98 F7 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000241C8EA6140, 16 bytes long.
Data: <p A > 70 F7 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000241C8EA60F0, 16 bytes long.
Data: <H A > 48 F7 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000241C8EA5C90, 16 bytes long.
Data: < A > 20 F7 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000241C8EA5A60, 16 bytes long.
Data: < A > F8 F6 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000241C8EA1110, 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 0x00000241C8EA5E70, 16 bytes long.
Data: < A > D0 F6 E8 C8 41 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000241C8E8F6D0, 320 bytes long.
Data: <p^ A A > 70 5E EA C8 41 02 00 00 10 11 EA C8 41 02 00 00
{277} normal block at 0x00000241C8EA5D30, 16 bytes long.
Data: < f A > C0 66 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000241C8EA5F10, 16 bytes long.
Data: < f A > 98 66 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000241C8EA13B0, 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 0x00000241C8EA6050, 16 bytes long.
Data: <pf A > 70 66 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000241C8EA1170, 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 0x00000241C8EA5D80, 16 bytes long.
Data: < e A > B8 65 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000241C8EA5650, 16 bytes long.
Data: < e A > 90 65 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000241C8EA61E0, 16 bytes long.
Data: <he A > 68 65 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000241C8EA5830, 16 bytes long.
Data: <@e A > 40 65 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000241C8EA5FB0, 16 bytes long.
Data: < e A > 18 65 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000241C8EA60A0, 16 bytes long.
Data: < d A > F0 64 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000241C8EA5C40, 16 bytes long.
Data: < K A > C0 4B EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000241C8EA4BC0, 40 bytes long.
Data: <@\ A A > 40 5C EA C8 41 02 00 00 F0 FB E8 C8 41 02 00 00
{263} normal block at 0x00000241C8EA6230, 16 bytes long.
Data: < d A > D0 64 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000241C8EA6320, 16 bytes long.
Data: < d A > A8 64 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000241C8EA10B0, 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 0x00000241C8EA6000, 16 bytes long.
Data: < d A > 80 64 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000241C8EA6480, 992 bytes long.
Data: < ` A A > 00 60 EA C8 41 02 00 00 B0 10 EA C8 41 02 00 00
{95} normal block at 0x00000241C8EA1410, 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 0x00000241C8E9D730, 16 bytes long.
Data: < I A > 90 49 EA C8 41 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000241C8EA4990, 40 bytes long.
Data: <0 A A > 30 D7 E9 C8 41 02 00 00 10 14 EA C8 41 02 00 00
{72} normal block at 0x00000241C8E9D820, 16 bytes long.
Data: < ? > 80 EA 3F FE F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000241C8E9DBE0, 16 bytes long.
Data: <@ ? > 40 E9 3F FE F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000241C8E9D370, 16 bytes long.
Data: < W< > F8 57 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000241C8E9DDC0, 16 bytes long.
Data: < W< > D8 57 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000241C8E9D410, 16 bytes long.
Data: <P < > 50 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000241C8E9DD70, 16 bytes long.
Data: <0 < > 30 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000241C8E9D280, 16 bytes long.
Data: < < > E0 02 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000241C8E9DB90, 16 bytes long.
Data: < < > 10 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000241C8E9D3C0, 16 bytes long.
Data: <p < > 70 04 3C FE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000241C8E9DE10, 16 bytes long.
Data: < : > 18 C0 3A FE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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