Task 38616501
| Name | CDK2_A16_A10_r0_1-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND2362_1 |
| Workunit | 31560826 |
| Created | 17 Apr 2026, 20:57:56 UTC |
| Sent | 17 Apr 2026, 20:58:14 UTC |
| Report deadline | 22 Apr 2026, 20:58:14 UTC |
| Received | 18 Apr 2026, 18:32:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 621628 |
| Run time | 3 hours 59 min 40 sec |
| CPU time | 3 hours 41 min 13 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 42,631.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 805.65 MB |
| Peak swap size | 10.14 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:33:10 (40184): wrapper (7.9.26016): starting
17:33:10 (40184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A10_0.pdb
QB_A16_A10_0.xml
QB_A16_A10.inpcrd
QB_A16_A10_input.yaml
QB_A16_A10.pdb
QB_A16_A10.prmtop
QB_A16_A10_sys.xml
run.bat
run.sh
17:33:11 (40184): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:33:11 (40184): 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 'E:\BOINC\slots\1\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 'E:\BOINC\slots\1\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
21:31:42 (40184): C:/Windows/system32/cmd.exe exited; CPU time 13272.984375
21:31:42 (40184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 311724649 bytes.
Dumping objects ->
{3835478} normal block at 0x00000272CEB59E70, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835467} normal block at 0x00000272D0930070, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835456} normal block at 0x00000272D09312D0, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835445} normal block at 0x00000272D09304F0, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835434} normal block at 0x00000272D0930E50, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835403} normal block at 0x00000272CEB59E00, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835390} normal block at 0x00000272CEB2E2D0, 8 bytes long.
Data: < Ïr > 00 00 03 CF 72 02 00 00
{3833973} normal block at 0x00000272CEB2E910, 8 bytes long.
Data: <Àà±Îr > C0 E0 B1 CE 72 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000272CEB21250, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000272CEB226E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000272CEB36C30, 16 bytes long.
Data: <X{³Îr > 58 7B B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000272CEB37400, 16 bytes long.
Data: <0{³Îr > 30 7B B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000272CEB304C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000272CEB368C0, 16 bytes long.
Data: < {³Îr > 08 7B B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000272CEB37090, 16 bytes long.
Data: <àz³Îr > E0 7A B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000272CEB36870, 16 bytes long.
Data: <¸z³Îr > B8 7A B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000272CEB37220, 16 bytes long.
Data: <z³Îr > 90 7A B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000272CEB34F30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000272CEB37540, 16 bytes long.
Data: <è ²Îr > E8 07 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000272CEB303A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000272CEB36FF0, 16 bytes long.
Data: <À ²Îr > C0 07 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000272CEB37180, 16 bytes long.
Data: < ²Îr > 98 07 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000272CEB36FA0, 16 bytes long.
Data: <p ²Îr > 70 07 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000272CEB371D0, 16 bytes long.
Data: <H ²Îr > 48 07 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000272CEB377C0, 16 bytes long.
Data: < ²Îr > 20 07 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000272CEB36F00, 16 bytes long.
Data: <ø ²Îr > F8 06 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000272CEB30E80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000272CEB36EB0, 16 bytes long.
Data: <Ð ²Îr > D0 06 B2 CE 72 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000272CEB206D0, 320 bytes long.
Data: <°n³Îr € ³Îr > B0 6E B3 CE 72 02 00 00 80 0E B3 CE 72 02 00 00
{282} normal block at 0x00000272CEB36D20, 16 bytes long.
Data: <pz³Îr > 70 7A B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000272CEB36C80, 16 bytes long.
Data: <Hz³Îr > 48 7A B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000272CEB30BE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000272CEB36AA0, 16 bytes long.
Data: < z³Îr > 20 7A B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000272CEB30460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000272CEB37770, 16 bytes long.
Data: <hy³Îr > 68 79 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000272CEB36E60, 16 bytes long.
Data: <@y³Îr > 40 79 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000272CEB37360, 16 bytes long.
Data: < y³Îr > 18 79 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000272CEB374F0, 16 bytes long.
Data: <ðx³Îr > F0 78 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000272CEB374A0, 16 bytes long.
Data: <Èx³Îr > C8 78 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000272CEB375E0, 16 bytes long.
Data: < x³Îr > A0 78 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000272CEB36F50, 16 bytes long.
Data: < L³Îr > 20 4C B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000272CEB34C20, 40 bytes long.
Data: <Po³Îr žµÎr > 50 6F B3 CE 72 02 00 00 00 9E B5 CE 72 02 00 00
{268} normal block at 0x00000272CEB37040, 16 bytes long.
Data: <€x³Îr > 80 78 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000272CEB376D0, 16 bytes long.
Data: <Xx³Îr > 58 78 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000272CEB30880, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000272CEB370E0, 16 bytes long.
Data: <0x³Îr > 30 78 B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000272CEB37830, 992 bytes long.
Data: <àp³Îr € ³Îr > E0 70 B3 CE 72 02 00 00 80 08 B3 CE 72 02 00 00
{100} normal block at 0x00000272CEB30DC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000272CEB2EE10, 16 bytes long.
Data: <°K³Îr > B0 4B B3 CE 72 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000272CEB34BB0, 40 bytes long.
Data: < î²Îr À ³Îr > 10 EE B2 CE 72 02 00 00 C0 0D B3 CE 72 02 00 00
{77} normal block at 0x00000272CEB2E230, 16 bytes long.
Data: <€ê î÷ > 80 EA B9 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000272CEB2E4B0, 16 bytes long.
Data: <@é î÷ > 40 E9 B9 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000272CEB2E870, 16 bytes long.
Data: <øW¶î÷ > F8 57 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000272CEB2EBE0, 16 bytes long.
Data: <ØW¶î÷ > D8 57 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000272CEB2EAF0, 16 bytes long.
Data: <P ¶î÷ > 50 04 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000272CEB2EC30, 16 bytes long.
Data: <0 ¶î÷ > 30 04 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000272CEB2E1E0, 16 bytes long.
Data: <à ¶î÷ > E0 02 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000272CEB2E640, 16 bytes long.
Data: < ¶î÷ > 10 04 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000272CEB2E050, 16 bytes long.
Data: <p ¶î÷ > 70 04 B6 EE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000272CEB2E0F0, 16 bytes long.
Data: < À´î÷ > 18 C0 B4 EE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra