Task 38682825
| Name | test_253-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND8557_0 |
| Workunit | 31624418 |
| Created | 27 Oct 2026, 9:17:39 UTC |
| Sent | 27 Oct 2026, 9:17:43 UTC |
| Report deadline | 1 Nov 2026, 9:17:43 UTC |
| Received | 27 Oct 2026, 12:05:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629400 |
| Run time | 57 min 53 sec |
| CPU time | 54 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,377.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 682.32 MB |
| Peak swap size | 2.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:06:35 (6028): wrapper (7.9.26016): starting
12:06:35 (6028): 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
12:06:57 (6028): Library/usr/bin/tar.exe exited; CPU time 0.203125
12:06:57 (6028): 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 'E:\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 'E:\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835371} normal block at 0x000001A7C83F6CF0, 8 bytes long.
Data: < p > 00 00 70 C8 A7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000001A7CA5B88D0, 1080 bytes long.
Data: <l4 d > 6C 34 00 00 CD CD CD CD 64 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001A7C84008A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:53:29 (3916): wrapper (7.9.26016): starting
13:53:29 (3916): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\Boinc\slots\0\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
14:04:56 (3916): C:/Windows/system32/cmd.exe exited; CPU time 636.375000
14:04:56 (3916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 8662445 bytes.
Dumping objects ->
{1811} normal block at 0x000001F81CDFD740, 48 bytes long.
Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1800} normal block at 0x000001F81CDFC020, 32 bytes long.
Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1789} normal block at 0x000001F81CDFBC60, 32 bytes long.
Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{1778} normal block at 0x000001F81CDFC560, 32 bytes long.
Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1767} normal block at 0x000001F81CDFB900, 32 bytes long.
Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C
{1736} normal block at 0x000001F81CDFD7B0, 48 bytes long.
Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C
{1725} normal block at 0x000001F81CDEBD60, 85 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) : {1722} normal block at 0x000001F81CE01E80, 8 bytes long.
Data: < 9 > 00 00 39 1D F8 01 00 00
{1002} normal block at 0x000001F81CDEBC30, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{300} normal block at 0x000001F81CE01B60, 8 bytes long.
Data: < > C0 13 E0 1C F8 01 00 00
{291} normal block at 0x000001F81CDE8CD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001F81CE021F0, 16 bytes long.
Data: < 1 > 08 31 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F81CE01A20, 16 bytes long.
Data: < 0 > E0 30 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F81CDFC140, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001F81CE02150, 16 bytes long.
Data: < 0 > B8 30 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F81CE02100, 16 bytes long.
Data: < 0 > 90 30 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F81CE01C50, 16 bytes long.
Data: <h0 > 68 30 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F81CE022E0, 16 bytes long.
Data: <@0 > 40 30 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F81CDFD6D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001F81CE02790, 16 bytes long.
Data: <H > 48 C0 DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F81CDFC620, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001F81CE020B0, 16 bytes long.
Data: < > 20 C0 DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F81CE02060, 16 bytes long.
Data: < > F8 BF DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F81CE026A0, 16 bytes long.
Data: < > D0 BF DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F81CE01B10, 16 bytes long.
Data: < > A8 BF DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F81CE02600, 16 bytes long.
Data: < > 80 BF DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F81CE01F70, 16 bytes long.
Data: <X > 58 BF DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F81CDFC4A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001F81CE02010, 16 bytes long.
Data: <0 > 30 BF DE 1C F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F81CDEBF30, 320 bytes long.
Data: < > 10 20 E0 1C F8 01 00 00 A0 C4 DF 1C F8 01 00 00
{270} normal block at 0x000001F81CE01A70, 16 bytes long.
Data: < 0 > 20 30 E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F81CE027E0, 16 bytes long.
Data: < / > F8 2F E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F81CDFC2C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001F81CE024C0, 16 bytes long.
Data: < / > D0 2F E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F81CDFB960, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001F81CE01FC0, 16 bytes long.
Data: < / > 18 2F E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F81CE02650, 16 bytes long.
Data: < . > F0 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F81CE02420, 16 bytes long.
Data: < . > C8 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F81CE01CF0, 16 bytes long.
Data: < . > A0 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F81CE02740, 16 bytes long.
Data: <x. > 78 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F81CE02920, 16 bytes long.
Data: <P. > 50 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F81CE01DE0, 16 bytes long.
Data: <` > 60 D6 DF 1C F8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F81CDFD660, 40 bytes long.
Data: < > E0 1D E0 1C F8 01 00 00 B0 D7 DF 1C F8 01 00 00
{256} normal block at 0x000001F81CE01F20, 16 bytes long.
Data: <0. > 30 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F81CE026F0, 16 bytes long.
Data: < . > 08 2E E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F81CDFC5C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001F81CE02470, 16 bytes long.
Data: < - > E0 2D E0 1C F8 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F81CE02DE0, 992 bytes long.
Data: <p$ > 70 24 E0 1C F8 01 00 00 C0 C5 DF 1C F8 01 00 00
{88} normal block at 0x000001F81CDFC1A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001F81CDF7470, 16 bytes long.
Data: < > 80 D5 DF 1C F8 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001F81CDFD580, 40 bytes long.
Data: <pt > 70 74 DF 1C F8 01 00 00 A0 C1 DF 1C F8 01 00 00
{65} normal block at 0x000001F81CDF6E80, 16 bytes long.
Data: < > 80 EA 18 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F81CDF7510, 16 bytes long.
Data: <@ > 40 E9 18 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F81CDF6B10, 16 bytes long.
Data: < W > F8 57 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F81CDF7380, 16 bytes long.
Data: < W > D8 57 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F81CDF7330, 16 bytes long.
Data: <P > 50 04 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F81CDF7920, 16 bytes long.
Data: <0 > 30 04 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F81CDF72E0, 16 bytes long.
Data: < > E0 02 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F81CDF6C50, 16 bytes long.
Data: < > 10 04 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F81CDF6ED0, 16 bytes long.
Data: <p > 70 04 15 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F81CDF7970, 16 bytes long.
Data: < > 18 C0 13 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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