Task 38696192

Name test_234-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND0676_0
Workunit 31636837
Created 31 Oct 2026, 20:27:17 UTC
Sent 31 Oct 2026, 20:27:23 UTC
Report deadline 5 Nov 2026, 20:27:23 UTC
Received 31 Oct 2026, 23:47:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 50 min 57 sec
CPU time 48 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.60 MB
Peak swap size 12.97 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:30:19 (25120): wrapper (7.9.26016): starting
23:30:19 (25120): 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
23:30:22 (25120): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:30:22 (25120): 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:\boinc\slots\1\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:\boinc\slots\1\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
00:19:15 (25120): C:/Windows/system32/cmd.exe exited; CPU time 2921.781250
00:19:15 (25120): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 51658597 bytes.
Dumping objects ->
{3835301} normal block at 0x0000020FDD274230, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x0000020FDF054580, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x0000020FDF054520, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x0000020FDF0530E0, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x0000020FDF054280, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x0000020FDD274150, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x0000020FDF01E0B0, 102 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) : {3835212} normal block at 0x0000020FDD26FA20, 8 bytes long.
 Data: <  "&#221;    > 00 00 22 DD 0F 02 00 00 
{3834573} normal block at 0x0000020FDF01DEA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000020FDD26F7F0, 8 bytes long.
 Data: < &#235;4&#221;    > 80 EB 34 DD 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000020FDD267140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020FDD25F880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000020FDD274FA0, 16 bytes long.
 Data: < N'&#221;            > 08 4E 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020FDD275540, 16 bytes long.
 Data: <&#224;M'&#221;            > E0 4D 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020FDD26FB80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000020FDD275A90, 16 bytes long.
 Data: <&#184;M'&#221;            > B8 4D 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020FDD275DB0, 16 bytes long.
 Data: < M'&#221;            > 90 4D 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020FDD275220, 16 bytes long.
 Data: <hM'&#221;            > 68 4D 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020FDD2754F0, 16 bytes long.
 Data: <@M'&#221;            > 40 4D 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020FDD274460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000020FDD275D10, 16 bytes long.
 Data: <8&#234;&&#221;            > 38 EA 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020FDD270000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000020FDD275EA0, 16 bytes long.
 Data: < &#234;&&#221;            > 10 EA 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020FDD275400, 16 bytes long.
 Data: <&#232;&#233;&&#221;            > E8 E9 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020FDD275C70, 16 bytes long.
 Data: <&#192;&#233;&&#221;            > C0 E9 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020FDD274F50, 16 bytes long.
 Data: < &#233;&&#221;            > 98 E9 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020FDD275CC0, 16 bytes long.
 Data: <p&#233;&&#221;            > 70 E9 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020FDD275720, 16 bytes long.
 Data: <H&#233;&&#221;            > 48 E9 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020FDD26FE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000020FDD2755E0, 16 bytes long.
 Data: < &#233;&&#221;            > 20 E9 26 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020FDD26E920, 320 bytes long.
 Data: <&#224;U'&#221;     &#254;&&#221;    > E0 55 27 DD 0F 02 00 00 20 FE 26 DD 0F 02 00 00 
{266} normal block at 0x0000020FDD275180, 16 bytes long.
 Data: < M'&#221;            > 20 4D 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020FDD2754A0, 16 bytes long.
 Data: <&#248;L'&#221;            > F8 4C 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020FDD2700C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000020FDD2753B0, 16 bytes long.
 Data: <&#208;L'&#221;            > D0 4C 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020FDD270A80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000020FDD275450, 16 bytes long.
 Data: < L'&#221;            > 18 4C 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020FDD2751D0, 16 bytes long.
 Data: <&#240;K'&#221;            > F0 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020FDD2756D0, 16 bytes long.
 Data: <&#200;K'&#221;            > C8 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020FDD275040, 16 bytes long.
 Data: <&#160;K'&#221;            > A0 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020FDD26F390, 16 bytes long.
 Data: <xK'&#221;            > 78 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020FDD26ED50, 16 bytes long.
 Data: <PK'&#221;            > 50 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020FDD26F2A0, 16 bytes long.
 Data: < @'&#221;            > 00 40 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020FDD274000, 40 bytes long.
 Data: <&#160;&#242;&&#221;    PA'&#221;    > A0 F2 26 DD 0F 02 00 00 50 41 27 DD 0F 02 00 00 
{252} normal block at 0x0000020FDD26EE90, 16 bytes long.
 Data: <0K'&#221;            > 30 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020FDD26F1B0, 16 bytes long.
 Data: < K'&#221;            > 08 4B 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020FDD270180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000020FDD26EC60, 16 bytes long.
 Data: <&#224;J'&#221;            > E0 4A 27 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000020FDD274AE0, 992 bytes long.
 Data: <`&#236;&&#221;      '&#221;    > 60 EC 26 DD 0F 02 00 00 80 01 27 DD 0F 02 00 00 
{84} normal block at 0x0000020FDD270900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000020FDD26EC10, 16 bytes long.
 Data: <&#160;&#196;%&#221;            > A0 C4 25 DD 0F 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020FDD25C4A0, 40 bytes long.
 Data: < &#236;&&#221;     	'&#221;    > 10 EC 26 DD 0F 02 00 00 00 09 27 DD 0F 02 00 00 
{61} normal block at 0x0000020FDD26EB70, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020FDD26F660, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020FDD26F5C0, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020FDD26F430, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020FDD26EEE0, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020FDD26EBC0, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020FDD26F840, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020FDD26ED00, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000020FDD26F570, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000020FDD26F930, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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