Task 38666718
| Name | test_371-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9677_0 |
| Workunit | 31609519 |
| Created | 25 Oct 2026, 4:28:59 UTC |
| Sent | 25 Oct 2026, 6:33:02 UTC |
| Report deadline | 30 Oct 2026, 6:33:02 UTC |
| Received | 25 Oct 2026, 8:29:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641350 |
| Run time | 28 min 54 sec |
| CPU time | 27 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,410.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.04 MB |
| Peak swap size | 5.38 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:01:34 (10704): wrapper (7.9.26016): starting
09:01:34 (10704): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
09:01:35 (10704): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:01:35 (10704): 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\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 'C:\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:29:27 (10704): C:/Windows/system32/cmd.exe exited; CPU time 1658.546875
09:29:27 (10704): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23552209 bytes.
Dumping objects ->
{3835240} normal block at 0x000002ECBEB35850, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000002ECBEB35540, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000002ECBEB35310, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x000002ECBEB35460, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x000002ECBEB35690, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x000002ECC07D8180, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000002ECC07EF040, 102 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) : {3835151} normal block at 0x000002ECBEB2E800, 8 bytes long.
Data: < ð¾ì > 00 00 F0 BE EC 02 00 00
{3834545} normal block at 0x000002ECC07EF3B0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000002ECBEB2DFE0, 8 bytes long.
Data: <Àé~Àì > C0 E9 7E C0 EC 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002ECBEB31930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002ECBEB26890, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002ECBEB36CA0, 16 bytes long.
Data: <(q³¾ì > 28 71 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002ECBEB36200, 16 bytes long.
Data: < q³¾ì > 00 71 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002ECBEB30520, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002ECBEB36A70, 16 bytes long.
Data: <Øp³¾ì > D8 70 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002ECBEB35F30, 16 bytes long.
Data: <°p³¾ì > B0 70 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002ECBEB366B0, 16 bytes long.
Data: < p³¾ì > 88 70 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002ECBEB36B60, 16 bytes long.
Data: <`p³¾ì > 60 70 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002ECBEB358C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002ECBEB367F0, 16 bytes long.
Data: <Èø±¾ì > C8 F8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002ECBEB30580, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002ECBEB361B0, 16 bytes long.
Data: < ø±¾ì > A0 F8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002ECBEB36110, 16 bytes long.
Data: <xø±¾ì > 78 F8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002ECBEB35E90, 16 bytes long.
Data: <Pø±¾ì > 50 F8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002ECBEB36020, 16 bytes long.
Data: <(ø±¾ì > 28 F8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002ECBEB36C00, 16 bytes long.
Data: < ø±¾ì > 00 F8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002ECBEB36250, 16 bytes long.
Data: <Ø÷±¾ì > D8 F7 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002ECBEB2FBC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002ECBEB36570, 16 bytes long.
Data: <°÷±¾ì > B0 F7 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002ECBEB1F7B0, 320 bytes long.
Data: <pe³¾ì Àû²¾ì > 70 65 B3 BE EC 02 00 00 C0 FB B2 BE EC 02 00 00
{276} normal block at 0x000002ECBEB36390, 16 bytes long.
Data: <@p³¾ì > 40 70 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002ECBEB360C0, 16 bytes long.
Data: < p³¾ì > 18 70 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002ECBEB2F920, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002ECBEB36BB0, 16 bytes long.
Data: <ðo³¾ì > F0 6F B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002ECBEB30220, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002ECBEB36D40, 16 bytes long.
Data: <8o³¾ì > 38 6F B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002ECBEB36D90, 16 bytes long.
Data: < o³¾ì > 10 6F B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002ECBEB36890, 16 bytes long.
Data: <èn³¾ì > E8 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002ECBEB35E40, 16 bytes long.
Data: <Àn³¾ì > C0 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002ECBEB36520, 16 bytes long.
Data: < n³¾ì > 98 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002ECBEB36160, 16 bytes long.
Data: <pn³¾ì > 70 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002ECBEB36070, 16 bytes long.
Data: <°U³¾ì > B0 55 B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002ECBEB355B0, 40 bytes long.
Data: <p`³¾ì }Àì > 70 60 B3 BE EC 02 00 00 80 81 7D C0 EC 02 00 00
{262} normal block at 0x000002ECBEB36C50, 16 bytes long.
Data: <Pn³¾ì > 50 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002ECBEB35FD0, 16 bytes long.
Data: <(n³¾ì > 28 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002ECBEB2FCE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002ECBEB36430, 16 bytes long.
Data: < n³¾ì > 00 6E B3 BE EC 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002ECBEB36E00, 992 bytes long.
Data: <0d³¾ì àü²¾ì > 30 64 B3 BE EC 02 00 00 E0 FC B2 BE EC 02 00 00
{94} normal block at 0x000002ECBEB30100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002ECBEB2DE00, 16 bytes long.
Data: < ȱ¾ì > 10 C8 B1 BE EC 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002ECBEB1C810, 40 bytes long.
Data: < Þ²¾ì ³¾ì > 00 DE B2 BE EC 02 00 00 00 01 B3 BE EC 02 00 00
{71} normal block at 0x000002ECBEB2DCC0, 16 bytes long.
Data: < ê7Gö > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002ECBEB2E260, 16 bytes long.
Data: <@é7Gö > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002ECBEB2E4E0, 16 bytes long.
Data: <øW4Gö > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002ECBEB2E530, 16 bytes long.
Data: <ØW4Gö > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002ECBEB2E1C0, 16 bytes long.
Data: <P 4Gö > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002ECBEB2E7B0, 16 bytes long.
Data: <0 4Gö > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002ECBEB2E0D0, 16 bytes long.
Data: <à 4Gö > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002ECBEB2E580, 16 bytes long.
Data: < 4Gö > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002ECBEB2E760, 16 bytes long.
Data: <p 4Gö > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002ECBEB2E210, 16 bytes long.
Data: < À2Gö > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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