Task 38688888
| Name | test_238-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1647_0 |
| Workunit | 31630185 |
| Created | 28 Oct 2026, 16:42:53 UTC |
| Sent | 28 Oct 2026, 16:42:58 UTC |
| Report deadline | 2 Nov 2026, 16:42:58 UTC |
| Received | 28 Oct 2026, 18:50:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 43 min 6 sec |
| CPU time | 38 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 689.48 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:47:47 (19336): wrapper (7.9.26016): starting
09:47:47 (19336): 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
09:47:49 (19336): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:47:49 (19336): 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\7\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\7\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.
10:41:05 (14404): wrapper (7.9.26016): starting
10:41:05 (14404): 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\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
11:41:07 (2156): wrapper (7.9.26016): starting
11:41:07 (2156): 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\7\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:49:40 (2156): C:/Windows/system32/cmd.exe exited; CPU time 454.359375
11:49:40 (2156): 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: 8132080 bytes.
Dumping objects ->
{1594} normal block at 0x0000012B53936180, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1583} normal block at 0x0000012B53936490, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1572} normal block at 0x0000012B53936420, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1561} normal block at 0x0000012B53936500, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x0000012B539363B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1519} normal block at 0x0000012B5391C5D0, 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) : {1505} normal block at 0x0000012B53935220, 8 bytes long.
Data: < S+ > 00 00 C9 53 2B 01 00 00
{303} normal block at 0x0000012B53935360, 8 bytes long.
Data: <0f S+ > 30 66 93 53 2B 01 00 00
{294} normal block at 0x0000012B5392DB00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000012B53934F00, 16 bytes long.
Data: <(] S+ > 28 5D 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000012B53934DC0, 16 bytes long.
Data: < ] S+ > 00 5D 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012B5392EE90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000012B539354F0, 16 bytes long.
Data: < \ S+ > D8 5C 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000012B53934780, 16 bytes long.
Data: < \ S+ > B0 5C 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012B53934A50, 16 bytes long.
Data: < \ S+ > 88 5C 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012B53934D70, 16 bytes long.
Data: <`\ S+ > 60 5C 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012B53936340, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000012B53934C80, 16 bytes long.
Data: < A S+ > F8 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000012B5392F790, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000012B539353B0, 16 bytes long.
Data: < A S+ > D0 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000012B53935310, 16 bytes long.
Data: < A S+ > A8 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012B539351D0, 16 bytes long.
Data: < A S+ > 80 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012B53934BE0, 16 bytes long.
Data: <XA S+ > 58 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012B53934FF0, 16 bytes long.
Data: <0A S+ > 30 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000012B539349B0, 16 bytes long.
Data: < A S+ > 08 41 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012B5392F3D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000012B53935130, 16 bytes long.
Data: < @ S+ > E0 40 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000012B539340E0, 320 bytes long.
Data: <0Q S+ S+ > 30 51 93 53 2B 01 00 00 D0 F3 92 53 2B 01 00 00
{273} normal block at 0x0000012B53934FA0, 16 bytes long.
Data: <@\ S+ > 40 5C 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000012B53934E60, 16 bytes long.
Data: < \ S+ > 18 5C 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012B5392F550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000012B53935090, 16 bytes long.
Data: < [ S+ > F0 5B 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000012B5392F730, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000012B53935040, 16 bytes long.
Data: <8[ S+ > 38 5B 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012B53934A00, 16 bytes long.
Data: < [ S+ > 10 5B 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012B53934960, 16 bytes long.
Data: < Z S+ > E8 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012B539347D0, 16 bytes long.
Data: < Z S+ > C0 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012B53934E10, 16 bytes long.
Data: < Z S+ > 98 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000012B53934730, 16 bytes long.
Data: <pZ S+ > 70 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000012B53935590, 16 bytes long.
Data: <` S+ > 60 C5 91 53 2B 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000012B5391C560, 40 bytes long.
Data: < U S+ S+ > 90 55 93 53 2B 01 00 00 D0 C5 91 53 2B 01 00 00
{259} normal block at 0x0000012B539348C0, 16 bytes long.
Data: <PZ S+ > 50 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000012B539354A0, 16 bytes long.
Data: <(Z S+ > 28 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000012B5392F6D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000012B539346E0, 16 bytes long.
Data: < Z S+ > 00 5A 93 53 2B 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000012B53935A00, 992 bytes long.
Data: < F S+ S+ > E0 46 93 53 2B 01 00 00 D0 F6 92 53 2B 01 00 00
{91} normal block at 0x0000012B5392FAF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000012B5392E280, 16 bytes long.
Data: < S+ > 00 CD 92 53 2B 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000012B5392CD00, 40 bytes long.
Data: < S+ S+ > 80 E2 92 53 2B 01 00 00 F0 FA 92 53 2B 01 00 00
{68} normal block at 0x0000012B5392E690, 16 bytes long.
Data: < B > 80 EA 42 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000012B5392E550, 16 bytes long.
Data: <@ B > 40 E9 42 CF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012B5392E410, 16 bytes long.
Data: < W? > F8 57 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012B5392E500, 16 bytes long.
Data: < W? > D8 57 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000012B5392EA50, 16 bytes long.
Data: <P ? > 50 04 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000012B5392DE20, 16 bytes long.
Data: <0 ? > 30 04 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000012B5392E5F0, 16 bytes long.
Data: < ? > E0 02 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000012B5392E9B0, 16 bytes long.
Data: < ? > 10 04 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000012B5392E5A0, 16 bytes long.
Data: <p ? > 70 04 3F CF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000012B5392E960, 16 bytes long.
Data: < = > 18 C0 3D CF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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