Task 38610936
| Name | CDK2_A07_A10_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-2-6-RND0932_0 |
| Workunit | 31563746 |
| Created | 15 Apr 2026, 14:23:02 UTC |
| Sent | 15 Apr 2026, 14:23:09 UTC |
| Report deadline | 20 Apr 2026, 14:23:09 UTC |
| Received | 16 Apr 2026, 17:48:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640529 |
| Run time | 8 hours 22 min 18 sec |
| CPU time | 8 hours 21 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,960.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.59 MB |
| Peak swap size | 5.49 GB |
| Peak disk usage | 3.14 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:16:44 (12164): wrapper (7.9.26016): starting
17:16:44 (12164): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A10_0.pdb
QB_A07_A10_0.xml
QB_A07_A10.inpcrd
QB_A07_A10_input.yaml
QB_A07_A10.pdb
QB_A07_A10.prmtop
QB_A07_A10_sys.xml
run.bat
run.sh
17:16:45 (12164): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:16:45 (12164): 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 'D:\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 'D:\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.
02:24:32 (11132): wrapper (7.9.26016): starting
02:24:32 (11132): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\1\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
10:46:47 (11132): C:/Windows/system32/cmd.exe exited; CPU time 30074.218750
10:46:47 (11132): 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: 311499234 bytes.
Dumping objects ->
{1547} normal block at 0x0000017523BE9940, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1536} normal block at 0x0000017523BE3380, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1525} normal block at 0x0000017523BE2F00, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1514} normal block at 0x0000017523BE2D80, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1503} normal block at 0x0000017523BE3560, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1472} normal block at 0x0000017523BE9860, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {1459} normal block at 0x0000017523BEAAF0, 8 bytes long.
Data: < #u > 00 00 F7 23 75 01 00 00
{305} normal block at 0x0000017523BEA820, 8 bytes long.
Data: < #u > E0 B3 BE 23 75 01 00 00
{296} normal block at 0x0000017523BD59C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000017523BEA0F0, 16 bytes long.
Data: < #u > E8 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017523BEAF50, 16 bytes long.
Data: < #u > C0 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017523BE2DE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000017523BEA410, 16 bytes long.
Data: < #u > 98 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017523BEA870, 16 bytes long.
Data: <p #u > 70 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017523BEA730, 16 bytes long.
Data: <H #u > 48 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017523BEA780, 16 bytes long.
Data: < #u > 20 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017523BE9A90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000017523BEAF00, 16 bytes long.
Data: <8 #u > 38 17 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017523BE2C00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000017523BEA7D0, 16 bytes long.
Data: < #u > 10 17 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017523BEA3C0, 16 bytes long.
Data: < #u > E8 16 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017523BEABE0, 16 bytes long.
Data: < #u > C0 16 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017523BEAB90, 16 bytes long.
Data: < #u > 98 16 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017523BEA320, 16 bytes long.
Data: <p #u > 70 16 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017523BEA230, 16 bytes long.
Data: <H #u > 48 16 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017523BE3080, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000017523BEAAA0, 16 bytes long.
Data: < #u > 20 16 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017523BD1620, 320 bytes long.
Data: < #u 0 #u > A0 AA BE 23 75 01 00 00 80 30 BE 23 75 01 00 00
{275} normal block at 0x0000017523BEAC30, 16 bytes long.
Data: < #u > 00 B2 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017523BEAEB0, 16 bytes long.
Data: < #u > D8 B1 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017523BE2FC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000017523BEA0A0, 16 bytes long.
Data: < #u > B0 B1 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017523BE3260, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000017523BEA2D0, 16 bytes long.
Data: < #u > F8 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017523BEAD70, 16 bytes long.
Data: < #u > D0 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017523BEA140, 16 bytes long.
Data: < #u > A8 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017523BEA370, 16 bytes long.
Data: < #u > 80 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017523BEA5F0, 16 bytes long.
Data: <X #u > 58 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017523BEA000, 16 bytes long.
Data: <0 #u > 30 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017523BEAE60, 16 bytes long.
Data: < #u > 10 97 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017523BE9710, 40 bytes long.
Data: <` #u ` #u > 60 AE BE 23 75 01 00 00 60 98 BE 23 75 01 00 00
{261} normal block at 0x0000017523BEA910, 16 bytes long.
Data: < #u > 10 B0 BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017523BEA280, 16 bytes long.
Data: < #u > E8 AF BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000017523BE33E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000017523BEAB40, 16 bytes long.
Data: < #u > C0 AF BE 23 75 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000017523BEAFC0, 992 bytes long.
Data: <@ #u 3 #u > 40 AB BE 23 75 01 00 00 E0 33 BE 23 75 01 00 00
{93} normal block at 0x0000017523BE3020, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000017523BDDA50, 16 bytes long.
Data: < & #u > 10 26 BD 23 75 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000017523BD2610, 40 bytes long.
Data: <P #u 0 #u > 50 DA BD 23 75 01 00 00 20 30 BE 23 75 01 00 00
{70} normal block at 0x0000017523BDDDC0, 16 bytes long.
Data: < > 80 EA D1 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017523BDD280, 16 bytes long.
Data: <@ > 40 E9 D1 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017523BDD410, 16 bytes long.
Data: < W > F8 57 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017523BDDD20, 16 bytes long.
Data: < W > D8 57 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017523BDDA00, 16 bytes long.
Data: <P > 50 04 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017523BDD960, 16 bytes long.
Data: <0 > 30 04 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017523BDD910, 16 bytes long.
Data: < > E0 02 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017523BDDEB0, 16 bytes long.
Data: < > 10 04 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017523BDDCD0, 16 bytes long.
Data: <p > 70 04 CE AB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000017523BDD5A0, 16 bytes long.
Data: < > 18 C0 CC AB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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