Task 38601358
| Name | p38_A04_A29_r0_3-QUICO_ATM_GAFF2_NAGL_p38-2-6-RND3436_0 |
| Workunit | 31555939 |
| Created | 9 Apr 2026, 12:52:28 UTC |
| Sent | 9 Apr 2026, 12:52:35 UTC |
| Report deadline | 14 Apr 2026, 12:52:35 UTC |
| Received | 9 Apr 2026, 19:06:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 181245 |
| Run time | 6 hours 6 min 42 sec |
| CPU time | 6 hours 2 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 35,337.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 663.51 MB |
| Peak swap size | 10.01 GB |
| Peak disk usage | 4.16 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:00:21 (296440): wrapper (7.9.26016): starting
15:00:21 (296440): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A29_0.pdb
QB_A04_A29_0.xml
QB_A04_A29.inpcrd
QB_A04_A29_input.yaml
QB_A04_A29.pdb
QB_A04_A29.prmtop
QB_A04_A29_sys.xml
run.bat
run.sh
15:00:22 (296440): Library/usr/bin/tar.exe exited; CPU time 0.062500
15:00:22 (296440): 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:\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:\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
21:05:27 (296440): C:/Windows/system32/cmd.exe exited; CPU time 21733.953125
21:05:27 (296440): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 505856521 bytes.
Dumping objects ->
{3835592} normal block at 0x00000285D5266300, 48 bytes long.
Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835581} normal block at 0x00000285D7DEAEF0, 32 bytes long.
Data: <HOME=C:\BOINC\sl> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835570} normal block at 0x00000285D7DEAFB0, 32 bytes long.
Data: <TMP=C:\BOINC\slo> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835559} normal block at 0x00000285D7DEAD10, 32 bytes long.
Data: <TEMP=C:\BOINC\sl> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835548} normal block at 0x00000285D7DEACB0, 32 bytes long.
Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C
{3835517} normal block at 0x00000285D5266A00, 48 bytes long.
Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835506} normal block at 0x00000285D5248920, 125 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) : {3835503} normal block at 0x00000285D5261100, 8 bytes long.
Data: < RÕ… > 00 00 52 D5 85 02 00 00
{3834727} normal block at 0x00000285D5248FE0, 125 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833997} normal block at 0x00000285D5261650, 8 bytes long.
Data: < £$Õ… > 80 A3 24 D5 85 02 00 00
..\zip\boinc_zip.cpp(122) : {330} normal block at 0x00000285D5266D40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{315} normal block at 0x00000285D5263B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{314} normal block at 0x00000285D5260AC0, 16 bytes long.
Data: <Ø &Õ… > D8 7F 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{313} normal block at 0x00000285D52619C0, 16 bytes long.
Data: <° &Õ… > B0 7F 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x00000285D525F8B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{311} normal block at 0x00000285D5261920, 16 bytes long.
Data: < &Õ… > 88 7F 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x00000285D52618D0, 16 bytes long.
Data: <` &Õ… > 60 7F 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x00000285D5261830, 16 bytes long.
Data: <8 &Õ… > 38 7F 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000285D52616F0, 16 bytes long.
Data: < &Õ… > 10 7F 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x00000285D52664C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{306} normal block at 0x00000285D5261A10, 16 bytes long.
Data: <¨!&Õ… > A8 21 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000285D525FDF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{304} normal block at 0x00000285D5261330, 16 bytes long.
Data: < !&Õ… > 80 21 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000285D52611A0, 16 bytes long.
Data: <X!&Õ… > 58 21 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000285D5261970, 16 bytes long.
Data: <0!&Õ… > 30 21 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000285D5260B60, 16 bytes long.
Data: < !&Õ… > 08 21 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000285D52615B0, 16 bytes long.
Data: <à &Õ… > E0 20 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000285D5260F70, 16 bytes long.
Data: <¸ &Õ… > B8 20 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000285D525FC10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{296} normal block at 0x00000285D5261150, 16 bytes long.
Data: < &Õ… > 90 20 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000285D5262090, 320 bytes long.
Data: <P &Õ… ü%Õ… > 50 11 26 D5 85 02 00 00 10 FC 25 D5 85 02 00 00
{294} normal block at 0x00000285D5260CA0, 16 bytes long.
Data: <ð~&Õ… > F0 7E 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000285D5261060, 16 bytes long.
Data: <È~&Õ… > C8 7E 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000285D525FF10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{291} normal block at 0x00000285D5261420, 16 bytes long.
Data: < ~&Õ… > A0 7E 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000285D525FD90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{289} normal block at 0x00000285D5260B10, 16 bytes long.
Data: <è}&Õ… > E8 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000285D52617E0, 16 bytes long.
Data: <À}&Õ… > C0 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000285D52616A0, 16 bytes long.
Data: < }&Õ… > 98 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000285D5261560, 16 bytes long.
Data: <p}&Õ… > 70 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000285D5261510, 16 bytes long.
Data: <H}&Õ… > 48 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000285D5261790, 16 bytes long.
Data: < }&Õ… > 20 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000285D52614C0, 16 bytes long.
Data: < i&Õ… > 90 69 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000285D5266990, 40 bytes long.
Data: <À &Õ… j&Õ… > C0 14 26 D5 85 02 00 00 00 6A 26 D5 85 02 00 00
{280} normal block at 0x00000285D5261470, 16 bytes long.
Data: < }&Õ… > 00 7D 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000285D5261010, 16 bytes long.
Data: <Ø|&Õ… > D8 7C 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000285D525FD30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{277} normal block at 0x00000285D5261290, 16 bytes long.
Data: <°|&Õ… > B0 7C 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000285D5267CB0, 992 bytes long.
Data: < &Õ… 0ý%Õ… > 90 12 26 D5 85 02 00 00 30 FD 25 D5 85 02 00 00
{112} normal block at 0x00000285D5260210, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{111} normal block at 0x00000285D5260D90, 16 bytes long.
Data: <Pd&Õ… > 50 64 26 D5 85 02 00 00 00 00 00 00 00 00 00 00
{110} normal block at 0x00000285D5266450, 40 bytes long.
Data: < &Õ… &Õ… > 90 0D 26 D5 85 02 00 00 10 02 26 D5 85 02 00 00
{89} normal block at 0x00000285D5260C50, 16 bytes long.
Data: < êm—ö > 80 EA 6D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000285D5261380, 16 bytes long.
Data: <@ém—ö > 40 E9 6D 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000285D5260F20, 16 bytes long.
Data: <øWj—ö > F8 57 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000285D5260DE0, 16 bytes long.
Data: <ØWj—ö > D8 57 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000285D5253A70, 16 bytes long.
Data: <P j—ö > 50 04 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000285D5253A20, 16 bytes long.
Data: <0 j—ö > 30 04 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000285D52545B0, 16 bytes long.
Data: <à j—ö > E0 02 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000285D5254560, 16 bytes long.
Data: < j—ö > 10 04 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x00000285D5253AC0, 16 bytes long.
Data: <p j—ö > 70 04 6A 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x00000285D52539D0, 16 bytes long.
Data: < Àh—ö > 18 C0 68 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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