Task 38658145
| Name | test_100-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2420_0 |
| Workunit | 31601745 |
| Created | 24 Oct 2026, 12:23:03 UTC |
| Sent | 24 Oct 2026, 12:31:02 UTC |
| Report deadline | 29 Oct 2026, 12:31:02 UTC |
| Received | 24 Oct 2026, 14:28:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647196 |
| Run time | 1 hours 36 min 51 sec |
| CPU time | 1 hours 22 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,219.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.67 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:55:32 (14744): wrapper (7.9.26016): starting
07:55:32 (14744): 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
07:55:34 (14744): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:55:34 (14744): 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
09:27:49 (14744): C:/Windows/system32/cmd.exe exited; CPU time 4920.578125
09:27:49 (14744): 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: 100570541 bytes.
Dumping objects ->
{3835428} normal block at 0x000001D27E4DD650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000001D27C974A10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x000001D27C9749A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x000001D27C9747E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x000001D27C974D20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x000001D27E52AF00, 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) : {3835340} normal block at 0x000001D27C96F800, 8 bytes long.
Data: < Ê|Ò > 00 00 CA 7C D2 01 00 00
{3833957} normal block at 0x000001D27C9700C0, 8 bytes long.
Data: <Pë¤|Ò > 50 EB A4 7C D2 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D27C966230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D27C9670C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D27C975570, 16 bytes long.
Data: < e—|Ò > 88 65 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D27C9753E0, 16 bytes long.
Data: <`e—|Ò > 60 65 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D27C971070, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D27C975980, 16 bytes long.
Data: <8e—|Ò > 38 65 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D27C975390, 16 bytes long.
Data: < e—|Ò > 10 65 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D27C9752A0, 16 bytes long.
Data: <èd—|Ò > E8 64 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D27C975A20, 16 bytes long.
Data: <Àd—|Ò > C0 64 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D27C974770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D27C9760B0, 16 bytes long.
Data: <ø –|Ò > F8 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D27C971550, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D27C975430, 16 bytes long.
Data: <Р–|Ò > D0 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D27C976060, 16 bytes long.
Data: <¨ –|Ò > A8 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D27C9761A0, 16 bytes long.
Data: <  –|Ò > 80 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D27C975FC0, 16 bytes long.
Data: <X –|Ò > 58 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D27C975B60, 16 bytes long.
Data: <0 –|Ò > 30 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D27C976010, 16 bytes long.
Data: <  –|Ò > 08 A0 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D27C9713D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001D27C9758E0, 16 bytes long.
Data: <àŸ–|Ò > E0 9F 96 7C D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D27C969FE0, 320 bytes long.
Data: <àX—|Ò Ð —|Ò > E0 58 97 7C D2 01 00 00 D0 13 97 7C D2 01 00 00
{274} normal block at 0x000001D27C9757A0, 16 bytes long.
Data: < d—|Ò > A0 64 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D27C975F20, 16 bytes long.
Data: <xd—|Ò > 78 64 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D27C970D10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D27C975ED0, 16 bytes long.
Data: <Pd—|Ò > 50 64 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D27C971370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D27C975890, 16 bytes long.
Data: < c—|Ò > 98 63 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D27C975750, 16 bytes long.
Data: <pc—|Ò > 70 63 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D27C975DE0, 16 bytes long.
Data: <Hc—|Ò > 48 63 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D27C975840, 16 bytes long.
Data: < c—|Ò > 20 63 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D27C975E80, 16 bytes long.
Data: <øb—|Ò > F8 62 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D27C975930, 16 bytes long.
Data: <Ðb—|Ò > D0 62 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D27C975D90, 16 bytes long.
Data: <@L—|Ò > 40 4C 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D27C974C40, 40 bytes long.
Data: < ]—|Ò ¯R~Ò > 90 5D 97 7C D2 01 00 00 00 AF 52 7E D2 01 00 00
{260} normal block at 0x000001D27C975F70, 16 bytes long.
Data: <°b—|Ò > B0 62 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D27C975340, 16 bytes long.
Data: < b—|Ò > 88 62 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D27C970B30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D27C975700, 16 bytes long.
Data: <`b—|Ò > 60 62 97 7C D2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D27C976260, 992 bytes long.
Data: < W—|Ò 0 —|Ò > 00 57 97 7C D2 01 00 00 30 0B 97 7C D2 01 00 00
{92} normal block at 0x000001D27C9712B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D27C96FA80, 16 bytes long.
Data: <0Ö•|Ò > 30 D6 95 7C D2 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D27C95D630, 40 bytes long.
Data: < ú–|Ò ° —|Ò > 80 FA 96 7C D2 01 00 00 B0 12 97 7C D2 01 00 00
{69} normal block at 0x000001D27C970110, 16 bytes long.
Data: < ê:‚ö > 80 EA 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D27C96FBC0, 16 bytes long.
Data: <@é:‚ö > 40 E9 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D27C970570, 16 bytes long.
Data: <øW7‚ö > F8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D27C96FA30, 16 bytes long.
Data: <ØW7‚ö > D8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D27C96FF80, 16 bytes long.
Data: <P 7‚ö > 50 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D27C9701B0, 16 bytes long.
Data: <0 7‚ö > 30 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D27C96F760, 16 bytes long.
Data: <à 7‚ö > E0 02 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D27C9705C0, 16 bytes long.
Data: < 7‚ö > 10 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D27C96FD00, 16 bytes long.
Data: <p 7‚ö > 70 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D27C96FFD0, 16 bytes long.
Data: < À5‚ö > 18 C0 35 82 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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