Task 38657489
| Name | test_213-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND4161_0 |
| Workunit | 31601132 |
| Created | 24 Oct 2026, 11:42:59 UTC |
| Sent | 24 Oct 2026, 11:55:03 UTC |
| Report deadline | 29 Oct 2026, 11:55:03 UTC |
| Received | 24 Oct 2026, 15:18:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628942 |
| Run time | 1 hours 9 min 37 sec |
| CPU time | 57 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,879.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 659.25 MB |
| Peak swap size | 2.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:08:45 (12532): wrapper (7.9.26016): starting
11:08:45 (12532): 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
11:09:10 (12532): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:09:10 (12532): 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
12:18:02 (12532): C:/Windows/system32/cmd.exe exited; CPU time 3438.625000
12:18:02 (12532): 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: 47459763 bytes.
Dumping objects ->
{3835273} normal block at 0x000001C4898979C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000001C4898981A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x000001C489897DB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835240} normal block at 0x000001C4898980C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001C489897950, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835198} normal block at 0x000001C48B434C80, 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) : {3835185} normal block at 0x000001C48986C3D0, 8 bytes long.
Data: < /‹Ä > 00 00 2F 8B C4 01 00 00
{3833957} normal block at 0x000001C48986BD90, 8 bytes long.
Data: <0Ä…‰Ä > 30 C4 85 89 C4 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C489860CF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C48985E730, 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 0x000001C4898744C0, 16 bytes long.
Data: <xT‡‰Ä > 78 54 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C489873D90, 16 bytes long.
Data: <PT‡‰Ä > 50 54 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C48986EB50, 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 0x000001C489873ED0, 16 bytes long.
Data: <(T‡‰Ä > 28 54 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C4898746F0, 16 bytes long.
Data: < T‡‰Ä > 00 54 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C489874790, 16 bytes long.
Data: <ØS‡‰Ä > D8 53 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C489873F20, 16 bytes long.
Data: <°S‡‰Ä > B0 53 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C489870000, 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 0x000001C4898746A0, 16 bytes long.
Data: < ´…‰Ä > 08 B4 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C48986EA90, 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 0x000001C4898743D0, 16 bytes long.
Data: <à³…‰Ä > E0 B3 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C489874420, 16 bytes long.
Data: <¸³…‰Ä > B8 B3 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C489874920, 16 bytes long.
Data: < ³…‰Ä > 90 B3 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C489874600, 16 bytes long.
Data: <h³…‰Ä > 68 B3 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C489873F70, 16 bytes long.
Data: <@³…‰Ä > 40 B3 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C489874880, 16 bytes long.
Data: < ³…‰Ä > 18 B3 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C48986EA30, 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 0x000001C489874380, 16 bytes long.
Data: <ð²…‰Ä > F0 B2 85 89 C4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C48985B2F0, 320 bytes long.
Data: < C‡‰Ä 0ê†‰Ä > 80 43 87 89 C4 01 00 00 30 EA 86 89 C4 01 00 00
{274} normal block at 0x000001C489874BF0, 16 bytes long.
Data: < S‡‰Ä > 90 53 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C4898749C0, 16 bytes long.
Data: <hS‡‰Ä > 68 53 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C48986EAF0, 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 0x000001C489874CE0, 16 bytes long.
Data: <@S‡‰Ä > 40 53 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C48986E970, 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 0x000001C489874830, 16 bytes long.
Data: < R‡‰Ä > 88 52 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C489874060, 16 bytes long.
Data: <`R‡‰Ä > 60 52 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C489874B00, 16 bytes long.
Data: <8R‡‰Ä > 38 52 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C489874A10, 16 bytes long.
Data: < R‡‰Ä > 10 52 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C4898741F0, 16 bytes long.
Data: <èQ‡‰Ä > E8 51 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C489874B50, 16 bytes long.
Data: <ÀQ‡‰Ä > C0 51 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C489874C40, 16 bytes long.
Data: < ÿ†‰Ä > 90 FF 86 89 C4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C48986FF90, 40 bytes long.
Data: <@L‡‰Ä LC‹Ä > 40 4C 87 89 C4 01 00 00 80 4C 43 8B C4 01 00 00
{260} normal block at 0x000001C4898745B0, 16 bytes long.
Data: < Q‡‰Ä > A0 51 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C489874650, 16 bytes long.
Data: <xQ‡‰Ä > 78 51 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C48986E310, 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 0x000001C489874470, 16 bytes long.
Data: <PQ‡‰Ä > 50 51 87 89 C4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C489875150, 992 bytes long.
Data: <pD‡‰Ä ã†‰Ä > 70 44 87 89 C4 01 00 00 10 E3 86 89 C4 01 00 00
{92} normal block at 0x000001C48986E250, 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 0x000001C48986BFC0, 16 bytes long.
Data: <°þ†‰Ä > B0 FE 86 89 C4 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001C48986FEB0, 40 bytes long.
Data: <À¿†‰Ä Pâ†‰Ä > C0 BF 86 89 C4 01 00 00 50 E2 86 89 C4 01 00 00
{69} normal block at 0x000001C48986BE80, 16 bytes long.
Data: < ê³ùö > 80 EA B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C48986C510, 16 bytes long.
Data: <@é³ùö > 40 E9 B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C48986C7E0, 16 bytes long.
Data: <øW°ùö > F8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C48986C380, 16 bytes long.
Data: <ØW°ùö > D8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C48986C290, 16 bytes long.
Data: <P °ùö > 50 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C48986C8D0, 16 bytes long.
Data: <0 °ùö > 30 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C48986C880, 16 bytes long.
Data: <à °ùö > E0 02 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C48986C830, 16 bytes long.
Data: < °ùö > 10 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C48986C1A0, 16 bytes long.
Data: <p °ùö > 70 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C48986BD40, 16 bytes long.
Data: < À®ùö > 18 C0 AE F9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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