Task 38601743
| Name | PTP1B_A10_A11_r0_4-QUICO_ATM_GAFF2_NAGL_PTP1B-2-6-RND4243_0 |
| Workunit | 31556255 |
| Created | 9 Apr 2026, 17:05:03 UTC |
| Sent | 9 Apr 2026, 17:05:09 UTC |
| Report deadline | 14 Apr 2026, 17:05:09 UTC |
| Received | 9 Apr 2026, 23:33:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651831 |
| Run time | 4 hours 4 min 12 sec |
| CPU time | 3 hours 43 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 19,474.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 656.79 MB |
| Peak swap size | 12.79 GB |
| Peak disk usage | 3.00 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:06:21 (15856): wrapper (7.9.26016): starting
13:06:21 (15856): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A11_0.pdb
QB_A10_A11_0.xml
QB_A10_A11.inpcrd
QB_A10_A11_input.yaml
QB_A10_A11.pdb
QB_A10_A11.prmtop
QB_A10_A11_sys.xml
run.bat
run.sh
13:06:23 (15856): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:06:23 (15856): 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\31\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\31\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.
15:25:44 (21396): wrapper (7.9.26016): starting
15:25:44 (21396): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\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
19:29:54 (21396): C:/Windows/system32/cmd.exe exited; CPU time 13380.500000
19:29:54 (21396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 244324623 bytes.
Dumping objects ->
{1869} normal block at 0x000001EB64DD3DF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1858} normal block at 0x000001EB64DD3CA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1847} normal block at 0x000001EB64DD3E60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1836} normal block at 0x000001EB64DD3ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1825} normal block at 0x000001EB64DD3C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1794} normal block at 0x000001EB64DBF2C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1783} normal block at 0x000001EB64DBE4A0, 140 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) : {1780} normal block at 0x000001EB64DD5470, 8 bytes long.
Data: < d > 00 00 DA 64 EB 01 00 00
{1034} normal block at 0x000001EB64DBD280, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x000001EB64DD4FC0, 8 bytes long.
Data: < Y d > F0 59 DD 64 EB 01 00 00
{296} normal block at 0x000001EB64DC2500, 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 0x000001EB64DD46B0, 16 bytes long.
Data: < X d > F8 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EB64DD49D0, 16 bytes long.
Data: < X d > D0 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EB64DD1270, 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 0x000001EB64DD4A70, 16 bytes long.
Data: < X d > A8 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EB64DD50B0, 16 bytes long.
Data: < X d > 80 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EB64DD4930, 16 bytes long.
Data: <XX d > 58 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EB64DD5290, 16 bytes long.
Data: <0X d > 30 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EB64DD3D80, 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 0x000001EB64DD47F0, 16 bytes long.
Data: <X d > 58 07 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EB64DD1450, 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 0x000001EB64DD4F70, 16 bytes long.
Data: <0 d > 30 07 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EB64DD51A0, 16 bytes long.
Data: < d > 08 07 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EB64DD4E80, 16 bytes long.
Data: < d > E0 06 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EB64DD4E30, 16 bytes long.
Data: < d > B8 06 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EB64DD53D0, 16 bytes long.
Data: < d > 90 06 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EB64DD4840, 16 bytes long.
Data: <h d > 68 06 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EB64DD1390, 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 0x000001EB64DD4CA0, 16 bytes long.
Data: <@ d > 40 06 DC 64 EB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EB64DC0640, 320 bytes long.
Data: < L d d > A0 4C DD 64 EB 01 00 00 90 13 DD 64 EB 01 00 00
{275} normal block at 0x000001EB64DD4C00, 16 bytes long.
Data: < X d > 10 58 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EB64DD4B60, 16 bytes long.
Data: < W d > E8 57 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EB64DD0C70, 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 0x000001EB64DD5150, 16 bytes long.
Data: < W d > C0 57 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EB64DD1330, 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 0x000001EB64DD47A0, 16 bytes long.
Data: < W d > 08 57 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EB64DD5010, 16 bytes long.
Data: < V d > E0 56 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EB64DD4A20, 16 bytes long.
Data: < V d > B8 56 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EB64DD4D90, 16 bytes long.
Data: < V d > 90 56 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EB64DD4DE0, 16 bytes long.
Data: <hV d > 68 56 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EB64DD4BB0, 16 bytes long.
Data: <@V d > 40 56 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EB64DD5420, 16 bytes long.
Data: < : d > 00 3A DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EB64DD3A00, 40 bytes long.
Data: < T d d > 20 54 DD 64 EB 01 00 00 C0 F2 DB 64 EB 01 00 00
{261} normal block at 0x000001EB64DD4F20, 16 bytes long.
Data: < V d > 20 56 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EB64DD52E0, 16 bytes long.
Data: < U d > F8 55 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EB64DD1030, 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 0x000001EB64DD48E0, 16 bytes long.
Data: < U d > D0 55 DD 64 EB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EB64DD55D0, 992 bytes long.
Data: < H d 0 d > E0 48 DD 64 EB 01 00 00 30 10 DD 64 EB 01 00 00
{93} normal block at 0x000001EB64DD0BB0, 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 0x000001EB64DCD120, 16 bytes long.
Data: <` d > 60 EE DB 64 EB 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001EB64DBEE60, 40 bytes long.
Data: < d d > 20 D1 DC 64 EB 01 00 00 B0 0B DD 64 EB 01 00 00
{70} normal block at 0x000001EB64DCD0D0, 16 bytes long.
Data: < & > 80 EA 26 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EB64DCD670, 16 bytes long.
Data: <@ & > 40 E9 26 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EB64DCD350, 16 bytes long.
Data: < W# > F8 57 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EB64DCDA80, 16 bytes long.
Data: < W# > D8 57 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EB64DCD710, 16 bytes long.
Data: <P # > 50 04 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EB64DCD990, 16 bytes long.
Data: <0 # > 30 04 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EB64DCD1C0, 16 bytes long.
Data: < # > E0 02 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EB64DCD260, 16 bytes long.
Data: < # > 10 04 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EB64DCD4E0, 16 bytes long.
Data: <p # > 70 04 23 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EB64DCDF30, 16 bytes long.
Data: < ! > 18 C0 21 DE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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