Task 38674152
| Name | test_456-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7311_0 |
| Workunit | 31616198 |
| Created | 26 Oct 2026, 4:26:38 UTC |
| Sent | 26 Oct 2026, 4:26:49 UTC |
| Report deadline | 31 Oct 2026, 4:26:49 UTC |
| Received | 26 Oct 2026, 4:55:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 28 min 34 sec |
| CPU time | 27 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,775.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.09 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:27:54 (32620): wrapper (7.9.26016): starting
00:27:54 (32620): 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
00:27:55 (32620): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:27:55 (32620): 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 'G:\BoincData\slots\21\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 'G:\BoincData\slots\21\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
00:55:36 (32620): C:/Windows/system32/cmd.exe exited; CPU time 1666.250000
00:55:36 (32620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 34786393 bytes.
Dumping objects ->
{3835574} normal block at 0x00000189997911E0, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835563} normal block at 0x00000189998DBCC0, 32 bytes long.
Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835552} normal block at 0x00000189998DC6E0, 32 bytes long.
Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835541} normal block at 0x00000189998DBF60, 32 bytes long.
Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835530} normal block at 0x00000189998DC0E0, 32 bytes long.
Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44
{3835499} normal block at 0x0000018999790A70, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x0000018997AFF2A0, 8 bytes long.
Data: < «—‰ > 00 00 AB 97 89 01 00 00
{3833957} normal block at 0x0000018997AFF1B0, 8 bytes long.
Data: <pçy ‰ > 70 E7 79 99 89 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018997B01930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018997AF8FC0, 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 0x0000018997B0CBE0, 16 bytes long.
Data: <8Ý°—‰ > 38 DD B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018997B0D1D0, 16 bytes long.
Data: < Ý°—‰ > 10 DD B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018997B09940, 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 0x0000018997B0CAF0, 16 bytes long.
Data: <èÜ°—‰ > E8 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018997B0CEB0, 16 bytes long.
Data: <ÀÜ°—‰ > C0 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018997B0D770, 16 bytes long.
Data: < Ü°—‰ > 98 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018997B0CA50, 16 bytes long.
Data: <pÜ°—‰ > 70 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018997B06C60, 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 0x0000018997B0D720, 16 bytes long.
Data: <øš¯—‰ > F8 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018997B092E0, 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 0x0000018997B0D7C0, 16 bytes long.
Data: <К¯—‰ > D0 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018997B0D3B0, 16 bytes long.
Data: <¨š¯—‰ > A8 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018997B0D310, 16 bytes long.
Data: < š¯—‰ > 80 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018997B0D2C0, 16 bytes long.
Data: <Xš¯—‰ > 58 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018997B0D680, 16 bytes long.
Data: <0š¯—‰ > 30 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018997B0D5E0, 16 bytes long.
Data: < š¯—‰ > 08 9A AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018997B095E0, 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 0x0000018997B0D180, 16 bytes long.
Data: <à ¯—‰ > E0 99 AF 97 89 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018997AF99E0, 320 bytes long.
Data: < Ñ°—‰ à•°—‰ > 80 D1 B0 97 89 01 00 00 E0 95 B0 97 89 01 00 00
{274} normal block at 0x0000018997B0D590, 16 bytes long.
Data: <PÜ°—‰ > 50 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018997B0D8B0, 16 bytes long.
Data: <(Ü°—‰ > 28 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018997B09EE0, 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 0x0000018997B0D360, 16 bytes long.
Data: < Ü°—‰ > 00 DC B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018997B09B20, 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 0x0000018997B0CE60, 16 bytes long.
Data: <HÛ°—‰ > 48 DB B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018997B0D540, 16 bytes long.
Data: < Û°—‰ > 20 DB B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018997B0CFF0, 16 bytes long.
Data: <øÚ°—‰ > F8 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018997B0D270, 16 bytes long.
Data: <ÐÚ°—‰ > D0 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018997B0D0E0, 16 bytes long.
Data: <¨Ú°—‰ > A8 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018997B0D860, 16 bytes long.
Data: < Ú°—‰ > 80 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018997B0D130, 16 bytes long.
Data: <ðk°—‰ > F0 6B B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018997B06BF0, 40 bytes long.
Data: <0Ñ°—‰ p y ‰ > 30 D1 B0 97 89 01 00 00 70 0A 79 99 89 01 00 00
{260} normal block at 0x0000018997B0CD70, 16 bytes long.
Data: <`Ú°—‰ > 60 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000018997B0CD20, 16 bytes long.
Data: <8Ú°—‰ > 38 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018997B097C0, 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 0x0000018997B0CB40, 16 bytes long.
Data: < Ú°—‰ > 10 DA B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000018997B0DA10, 992 bytes long.
Data: <@Ë°—‰ À—°—‰ > 40 CB B0 97 89 01 00 00 C0 97 B0 97 89 01 00 00
{92} normal block at 0x0000018997B09220, 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 0x0000018997AFF7A0, 16 bytes long.
Data: <ào°—‰ > E0 6F B0 97 89 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000018997B06FE0, 40 bytes long.
Data: < ÷¯—‰ ’°—‰ > A0 F7 AF 97 89 01 00 00 20 92 B0 97 89 01 00 00
{69} normal block at 0x0000018997AFF8E0, 16 bytes long.
Data: < ê~ ö > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018997AFF390, 16 bytes long.
Data: <@é~ ö > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018997AFF610, 16 bytes long.
Data: <øW{ ö > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018997AFF520, 16 bytes long.
Data: <ØW{ ö > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018997AFFD40, 16 bytes long.
Data: <P { ö > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018997AFF020, 16 bytes long.
Data: <0 { ö > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018997AFF4D0, 16 bytes long.
Data: <à { ö > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018997AFF250, 16 bytes long.
Data: < { ö > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000018997AFF160, 16 bytes long.
Data: <p { ö > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000018997AFEFD0, 16 bytes long.
Data: < Ày ö > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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