Task 38622046
| Name | p38_2_A02_A06_r0_1-QUICO_ATM_GAFF2_NAGL_p38_2-2-6-RND9264_0 |
| Workunit | 31572867 |
| Created | 20 Apr 2026, 13:14:27 UTC |
| Sent | 20 Apr 2026, 13:14:28 UTC |
| Report deadline | 25 Apr 2026, 13:14:28 UTC |
| Received | 20 Apr 2026, 17:02:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593616 |
| Run time | 3 hours 48 min 7 sec |
| CPU time | 3 hours 51 min 24 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,505.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.12 MB |
| Peak swap size | 6.91 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:15:53 (41156): wrapper (7.9.26016): starting
22:15:53 (41156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A06_0.pdb
QB_A02_A06_0.xml
QB_A02_A06.inpcrd
QB_A02_A06_input.yaml
QB_A02_A06.pdb
QB_A02_A06.prmtop
QB_A02_A06_sys.xml
run.bat
run.sh
22:15:54 (41156): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:15:54 (41156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' ‚́A“à•”ƒRƒ}ƒ“ƒh‚Ü‚½‚ÍŠO•”ƒRƒ}ƒ“ƒhA
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WARNING: The script pyaml.exe is installed in 'D:\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 'D:\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
02:02:04 (41156): C:/Windows/system32/cmd.exe exited; CPU time 13884.906250
02:02:04 (41156): 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: 214331335 bytes.
Dumping objects ->
{3835325} normal block at 0x000001CFB0D20F40, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835314} normal block at 0x000001CFB0D20840, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835303} normal block at 0x000001CFB0D20ED0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835292} normal block at 0x000001CFB0D21250, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835281} normal block at 0x000001CFB0D21410, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835250} normal block at 0x000001CFB0E15020, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835237} normal block at 0x000001CFAEEAE7D0, 8 bytes long.
Data: < ®Ï > 00 00 E4 AE CF 01 00 00
{3834073} normal block at 0x000001CFAEEADE70, 8 bytes long.
Data: < Ý ®Ï > 90 DD E9 AE CF 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001CFAEEA1AA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001CFAEEA2A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001CFAEEB62D0, 16 bytes long.
Data: <¸u ®Ï > B8 75 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001CFAEEB68C0, 16 bytes long.
Data: < u ®Ï > 90 75 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CFAEEB06E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001CFAEEB70E0, 16 bytes long.
Data: <hu ®Ï > 68 75 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CFAEEB6FF0, 16 bytes long.
Data: <@u ®Ï > 40 75 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CFAEEB7090, 16 bytes long.
Data: < u ®Ï > 18 75 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CFAEEB64B0, 16 bytes long.
Data: < t ®Ï > F0 74 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CFAEEB2220, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001CFAEEB6820, 16 bytes long.
Data: <( ®Ï > 28 0E EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CFAEEB0860, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001CFAEEB6EB0, 16 bytes long.
Data: < ®Ï > 00 0E EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CFAEEB6640, 16 bytes long.
Data: <Ø ®Ï > D8 0D EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CFAEEB6BE0, 16 bytes long.
Data: <° ®Ï > B0 0D EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CFAEEB6550, 16 bytes long.
Data: < ®Ï > 88 0D EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CFAEEB6DC0, 16 bytes long.
Data: <` ®Ï > 60 0D EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CFAEEB69B0, 16 bytes long.
Data: <8 ®Ï > 38 0D EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CFAEEB0560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001CFAEEB6D70, 16 bytes long.
Data: < ®Ï > 10 0D EA AE CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CFAEEA0D10, 320 bytes long.
Data: <pm ®Ï ` ®Ï > 70 6D EB AE CF 01 00 00 60 05 EB AE CF 01 00 00
{280} normal block at 0x000001CFAEEB7220, 16 bytes long.
Data: <Ðt ®Ï > D0 74 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CFAEEB6370, 16 bytes long.
Data: <¨t ®Ï > A8 74 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CFAEEB0AA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001CFAEEB6D20, 16 bytes long.
Data: < t ®Ï > 80 74 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CFAEEB0440, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001CFAEEB6910, 16 bytes long.
Data: <Ès ®Ï > C8 73 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CFAEEB6460, 16 bytes long.
Data: < s ®Ï > A0 73 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CFAEEB6E10, 16 bytes long.
Data: <xs ®Ï > 78 73 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CFAEEB66E0, 16 bytes long.
Data: <Ps ®Ï > 50 73 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CFAEEB6FA0, 16 bytes long.
Data: <(s ®Ï > 28 73 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CFAEEB7130, 16 bytes long.
Data: < s ®Ï > 00 73 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CFAEEB6CD0, 16 bytes long.
Data: < # ®Ï > 00 23 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CFAEEB2300, 40 bytes long.
Data: <Ðl ®Ï P °Ï > D0 6C EB AE CF 01 00 00 20 50 E1 B0 CF 01 00 00
{266} normal block at 0x000001CFAEEB6E60, 16 bytes long.
Data: < r ®Ï > E0 72 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CFAEEB71D0, 16 bytes long.
Data: <¸r ®Ï > B8 72 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CFAEEB0380, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001CFAEEB6F50, 16 bytes long.
Data: < r ®Ï > 90 72 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CFAEEB7290, 992 bytes long.
Data: <Po ®Ï ®Ï > 50 6F EB AE CF 01 00 00 80 03 EB AE CF 01 00 00
{98} normal block at 0x000001CFAEEB0FE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001CFAEEADCE0, 16 bytes long.
Data: <Ð ®Ï > D0 20 EB AE CF 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001CFAEEB20D0, 40 bytes long.
Data: < Ü ®Ï ®Ï > E0 DC EA AE CF 01 00 00 E0 0F EB AE CF 01 00 00
{73} normal block at 0x000001CFAEEAE690, 16 bytes long.
Data: < j > 80 EA EC 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CFAEEAE190, 16 bytes long.
Data: <@ j > 40 E9 EC 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CFAEEAE5F0, 16 bytes long.
Data: < W j > F8 57 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CFAEEAE780, 16 bytes long.
Data: <ØW j > D8 57 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CFAEEAE500, 16 bytes long.
Data: <P j > 50 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CFAEEADC40, 16 bytes long.
Data: <0 j > 30 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CFAEEAE5A0, 16 bytes long.
Data: < j > E0 02 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CFAEEAE8C0, 16 bytes long.
Data: < j > 10 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CFAEEADBA0, 16 bytes long.
Data: <p j > 70 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CFAEEAE460, 16 bytes long.
Data: < À j > 18 C0 E7 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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