Task 38612083
| Name | CDK2_A06_A11_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-1-6-RND1819_0 |
| Workunit | 31564733 |
| Created | 16 Apr 2026, 2:57:46 UTC |
| Sent | 16 Apr 2026, 2:57:58 UTC |
| Report deadline | 21 Apr 2026, 2:57:58 UTC |
| Received | 17 Apr 2026, 20:52:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635638 |
| Run time | 7 hours 16 min 7 sec |
| CPU time | 6 hours 38 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 52,383.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 828.32 MB |
| Peak swap size | 10.49 GB |
| Peak disk usage | 3.14 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:37:01 (15768): wrapper (7.9.26016): starting
14:37:01 (15768): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A11_0.pdb
QB_A06_A11_0.xml
QB_A06_A11.inpcrd
QB_A06_A11_input.yaml
QB_A06_A11.pdb
QB_A06_A11.prmtop
QB_A06_A11_sys.xml
run.bat
run.sh
14:37:04 (15768): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:37:04 (15768): 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\5\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\5\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
21:52:14 (15768): C:/Windows/system32/cmd.exe exited; CPU time 23883.484375
21:52:14 (15768): 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: 480886461 bytes.
Dumping objects ->
{3835723} normal block at 0x0000022556277B20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835712} normal block at 0x0000022556278140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835701} normal block at 0x0000022556277880, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835690} normal block at 0x0000022556277F10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835679} normal block at 0x00000225562779D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835648} normal block at 0x0000022556283E60, 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) : {3835635} normal block at 0x000002255421DF20, 8 bytes long.
Data: < _T% > 00 00 5F 54 25 02 00 00
{3834081} normal block at 0x000002255421D5C0, 8 bytes long.
Data: < ;+V% > 90 3B 2B 56 25 02 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000022554211200, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000022554212660, 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 0x0000022554225A80, 16 bytes long.
Data: < i"T% > 08 69 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000225542264D0, 16 bytes long.
Data: < h"T% > E0 68 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002255421FB10, 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 0x0000022554226430, 16 bytes long.
Data: < h"T% > B8 68 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000225542263E0, 16 bytes long.
Data: < h"T% > 90 68 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022554226160, 16 bytes long.
Data: <hh"T% > 68 68 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022554226110, 16 bytes long.
Data: <@h"T% > 40 68 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022554223CE0, 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 0x0000022554226020, 16 bytes long.
Data: <( T% > 28 EA 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022554220170, 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 0x0000022554225670, 16 bytes long.
Data: < T% > 00 EA 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022554225FD0, 16 bytes long.
Data: < T% > D8 E9 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022554225F80, 16 bytes long.
Data: < T% > B0 E9 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022554225F30, 16 bytes long.
Data: < T% > 88 E9 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022554225EE0, 16 bytes long.
Data: <` T% > 60 E9 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022554225E90, 16 bytes long.
Data: <8 T% > 38 E9 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022554220230, 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 0x0000022554226390, 16 bytes long.
Data: < T% > 10 E9 20 54 25 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002255420E910, 320 bytes long.
Data: < c"T% 0 "T% > 90 63 22 54 25 02 00 00 30 02 22 54 25 02 00 00
{282} normal block at 0x0000022554225DF0, 16 bytes long.
Data: < h"T% > 20 68 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022554225A30, 16 bytes long.
Data: < g"T% > F8 67 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022554220110, 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 0x00000225542259E0, 16 bytes long.
Data: < g"T% > D0 67 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002255421FFF0, 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 0x00000225542262F0, 16 bytes long.
Data: < g"T% > 18 67 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000225542258A0, 16 bytes long.
Data: < f"T% > F0 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022554225E40, 16 bytes long.
Data: < f"T% > C8 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022554225C60, 16 bytes long.
Data: < f"T% > A0 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022554225800, 16 bytes long.
Data: <xf"T% > 78 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000225542260C0, 16 bytes long.
Data: <Pf"T% > 50 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022554225C10, 16 bytes long.
Data: <P="T% > 50 3D 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022554223D50, 40 bytes long.
Data: < \"T% `>(V% > 10 5C 22 54 25 02 00 00 60 3E 28 56 25 02 00 00
{268} normal block at 0x0000022554225CB0, 16 bytes long.
Data: <0f"T% > 30 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022554226070, 16 bytes long.
Data: < f"T% > 08 66 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022554220410, 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 0x0000022554225940, 16 bytes long.
Data: < e"T% > E0 65 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000225542265E0, 992 bytes long.
Data: <@Y"T% "T% > 40 59 22 54 25 02 00 00 10 04 22 54 25 02 00 00
{100} normal block at 0x000002255421F8D0, 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 0x000002255421DED0, 16 bytes long.
Data: <`@"T% > 60 40 22 54 25 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000022554224060, 40 bytes long.
Data: < !T% !T% > D0 DE 21 54 25 02 00 00 D0 F8 21 54 25 02 00 00
{75} normal block at 0x000002255421DE30, 16 bytes long.
Data: < > 80 EA C2 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002255421D9D0, 16 bytes long.
Data: <@ > 40 E9 C2 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002255421E0B0, 16 bytes long.
Data: < W > F8 57 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002255421D610, 16 bytes long.
Data: < W > D8 57 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002255421DB60, 16 bytes long.
Data: <P > 50 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002255421DD90, 16 bytes long.
Data: <0 > 30 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002255421DA20, 16 bytes long.
Data: < > E0 02 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002255421DDE0, 16 bytes long.
Data: < > 10 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002255421D700, 16 bytes long.
Data: <p > 70 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002255421DCA0, 16 bytes long.
Data: < > 18 C0 BD D5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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